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2023

Thicket: Seeing the Performance Experiment Forest for the Individual Run Trees

High-Performance Parallel and Distributed Computing (HPDC 2023).Stephanie Brink, Michael McKinsey, David Boehme, Connor Scully-Allison, Ian Lumsden, Daryl Hawkins, Treece Burgess, Vanessa Lama, Jakob Luettgau, Katherine E Isaacs, Michela Taufer, Olga Pearce

@article{brink2023thicket,
title={Thicket: Seeing the Performance Experiment Forest for the Individual Run Trees},
author={Brink, Stephanie and McKinsey, Michael and Boehme, David and Scully-Allison, Connor and Lumsden, Ian and Hawkins, Daryl and Burgess, Treece and Lama, Vanessa and Luettgau, Jakob and Isaacs, Katherine E and others},
journal={High-Performance Parallel and Distributed Computing (HPDC 2023)},
volume={6},
number={7},
pages={23},
year={2023}
}

Reproducibility of the first image of a black hole in the galaxy M87 from the event horizon telescope (EHT) collaboration

Computing in Science & EngineeringRia Patel, Brandan Roachell, Silvina Caino-Lores, Ross Ketron, Jacob Leonard, Nigel Tan, Karan Vahi, Duncan A Brown, Ewa Deelman, Michela Taufer

@article{patel2023reproducibility,
title={Reproducibility of the first image of a black hole in the galaxy M87 from the event horizon telescope (EHT) collaboration},
author={Patel, Ria and Roachell, Brandan and Caino-Lores, Silvina and Ketron, Ross and Leonard, Jacob and Tan, Nigel and Vahi, Karan and Brown, Duncan A and Deelman, Ewa and Taufer, Michela},
journal={Computing in Science \& Engineering},
year={2023},
publisher=IEEE
}

Reproducing the results for NICER observation of PSR J0030+ 0451

arXiv preprint arXiv:2304.01035Chaitanya Afle, Patrick R Miles, Silvina Caino-Lores, Collin D Capano, Ingo Tews, Karan Vahi, Ewa Deelman, Michela Taufer, Duncan A Brown

@article{afle2023reproducing,
title={Reproducing the results for NICER observation of PSR J0030+ 0451},
author={Afle, Chaitanya and Miles, Patrick R and Caino-Lores, Silvina and Capano, Collin D and Tews, Ingo and Vahi, Karan and Deelman, Ewa and Taufer, Michela and Brown, Duncan A},
journal={arXiv preprint arXiv:2304.01035},
year=2023
}

A Survey of Graph Comparison Methods with Applications to Nondeterminism in High-Performance Computing

The International Journal of High Performance Computing ApplicationsSanjukta Bhowmick, Patrick Bell, Michela Taufer

@article{bhowmick2023survey,
title={A Survey of Graph Comparison Methods with Applications to Nondeterminism in High-Performance Computing},
author={Bhowmick, Sanjukta and Bell, Patrick and Taufer, Michela},
journal={The International Journal of High Performance Computing Applications},
pages={10943420231166610},
year={2023},
publisher={SAGE Publications Sage UK: London, England}
}

Orchestration of materials science workflows for heterogeneous resources at large scale

The International Journal of High Performance Computing ApplicationsNaweiluo Zhou, Giorgio Scorzelli, Jakob Luettgau, Rahul R Kancharla, Joshua J Kane, Robert Wheeler, Brendan P Croom, Pania Newell, Valerio Pascucci, Michela Taufer

@article{zhou2023orchestration,
title={Orchestration of materials science workflows for heterogeneous resources at large scale},
author={Zhou, Naweiluo and Scorzelli, Giorgio and Luettgau, Jakob and Kancharla, Rahul R and Kane, Joshua J and Wheeler, Robert and Croom, Brendan P and Newell, Pania and Pascucci, Valerio and Taufer, Michela},
journal={The International Journal of High Performance Computing Applications},
pages={10943420231167800},
year={2023},
publisher={SAGE Publications Sage UK: London, England}
}

Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables

The International Journal of High Performance Computing ApplicationsSilvina Caino-Lores, Michel Cuendet, Jack Marquez, Ekaterina Kots, Trilce Estrada, Ewa Deelman, Harel Weinstein, Michela Taufer

@inproceedings{caino2023runtime,
title={Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables},
author={Caino-Lores, Silvina and Cuendet, Michel and Marquez, Jack and Kots, Ekaterina and Estrada, Trilce and Deelman, Ewa and Weinstein, Harel and Taufer, Michela},
booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference},
pages={1--11},
year={2023}
}

Enabling Scalability in the Cloud for Scientific Workflows: An Earth Science Use Case

2023 IEEE 16th International Conference on Cloud Computing (CLOUD)Paula Olaya, Jakob Luettgau, Camila Roa, Ricardo Llamas, Rodrigo Vargas, Sophia Wen, I-Hsin Chung, Seetharami Seelam, Yoonho Park, Jay Lofstead, Michela Taufer

@inproceedings{olaya2023enabling,
title={Enabling Scalability in the Cloud for Scientific Workflows: An Earth Science Use Case},
author={Olaya, Paula and Luettgau, Jakob and Roa, Camila and Llamas, Ricardo and Vargas, Rodrigo and Wen, Sophia and Chung, I-Hsin and Seelam, Seetharami and Park, Yoonho and Lofstead, Jay and others},
booktitle={2023 IEEE 16th International Conference on Cloud Computing (CLOUD)},
pages={383--393},
year={2023},
organization={IEEE}
}

Development of Large-Scale Scientific Cyberinfrastructure and the Growing Opportunity to Democratize Access to Platforms and Data

International Conference on Human-Computer InteractionJakob Luettgau, Giorgio Scorzelli, Valerio Pascucci, Michela Taufer

@inproceedings{luettgau2023development,
title={Development of Large-Scale Scientific Cyberinfrastructure and the Growing Opportunity to Democratize Access to Platforms and Data},
author={Luettgau, Jakob and Scorzelli, Giorgio and Pascucci, Valerio and Taufer, Michela},
booktitle={International Conference on Human-Computer Interaction},
pages={378--389},
year={2023},
organization={Springer}
}

Scalable Incremental Checkpointing using GPU-Accelerated De-Duplication

Proceedings of the 52nd International Conference on Parallel ProcessingNigel Tan, Jakob Luettgau, Jack Marquez, Keita Teranishi, Nicolas Morales, Sanjukta Bhowmick, Franck Cappello, Michela Taufer, Bogdan Nicolae

@inproceedings{tan2023scalable,
title={Scalable Incremental Checkpointing using GPU-Accelerated De-Duplication},
author={Tan, Nigel and Luettgau, Jakob and Marquez, Jack and Teranishi, Keita and Morales, Nicolas and Bhowmick, Sanjukta and Cappello, Franck and Taufer, Michela and Nicolae, Bogdan},
booktitle={Proceedings of the 52nd International Conference on Parallel Processing},
pages={665--674},
year={2023}
}

GEOtiled: A Scalable Workflow for Generating Large Datasets of High-Resolution Terrain Parameters

Proceedings of the 32nd International Symposium on High-Performance Parallel and Distributed ComputingCamila Roa, Paula Olaya, Ricardo Llamas, Rodrigo Vargas, Michela Taufer

@inproceedings{roa2023geotiled,
title={GEOtiled: A Scalable Workflow for Generating Large Datasets of High-Resolution Terrain Parameters},
author={Roa, Camila and Olaya, Paula and Llamas, Ricardo and Vargas, Rodrigo and Taufer, Michela},
booktitle={Proceedings of the 32nd International Symposium on High-Performance Parallel and Distributed Computing},
pages={311--312},
year={2023}
}

Studying Latency and Throughput Constraints for Geo-Distributed Data in the National Science Data Fabric

Proceedings of the 32nd International Symposium on High-Performance Parallel and Distributed ComputingJakob Luettgau, Heberth Martinez, Glenn Tarcea, Giorgio Scorzelli, Valerio Pascucci, Michela Taufer

@inproceedings{luettgau2023studying,
title={Studying Latency and Throughput Constraints for Geo-Distributed Data in the National Science Data Fabric},
author={Luettgau, Jakob and Martinez, Heberth and Tarcea, Glenn and Scorzelli, Giorgio and Pascucci, Valerio and Taufer, Michela},
booktitle={Proceedings of the 32nd International Symposium on High-Performance Parallel and Distributed Computing},
pages={325--326},
year={2023}
}

Composable Workflow for Accelerating Neural Architecture Search Using In Situ Analytics for Protein Classification

Proceedings of the 52nd International Conference on Parallel ProcessingGeorgia Channing, Ria Patel, Paula Olaya, Ariel Rorabaugh, Osamu Miyashita, Silvina Caino-Lores, Catherine Schuman, Florence Tama, Michela Taufer

@inproceedings{channing2023composable,
title={Composable Workflow for Accelerating Neural Architecture Search Using In Situ Analytics for Protein Classification},
author={Channing, Georgia and Patel, Ria and Olaya, Paula and Rorabaugh, Ariel and Miyashita, Osamu and Caino-Lores, Silvina and Schuman, Catherine and Tama, Florence and Taufer, Michela},
booktitle={Proceedings of the 52nd International Conference on Parallel Processing},
pages={1--1},
year={2023}
}

Performance assessment of ensembles of in situ workflows under resource constraints

Concurrency and Computation: Practice and ExperienceTu Mai Anh Do, Loïc Pottier, Rafael Ferreira da Silva, Silvina Caíno‐Lores, Michela Taufer, Ewa Deelman

@article{do2023performance,
title={Performance assessment of ensembles of in situ workflows under resource constraints},
author={Do, Tu Mai Anh and Pottier, Lo{\"\i}c and Ferreira da Silva, Rafael and Ca{\'\i}no-Lores, Silvina and Taufer, Michela and Deelman, Ewa},
journal={Concurrency and Computation: Practice and Experience},
volume={35},
number={20},
pages={e7111},
year={2023},
publisher={Wiley Online Library}
}

Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations

2023 IEEE 19th International Conference on e-Science (e-Science)Harshita Sahni, Hector Carrillo-Cabada, Ekaterina Kots, Silvina Caino-Lores, Jack Marquez, Ewa Deelman, Michel Cuendet, Harel Weinstein, Michela Taufer, Trilce Estrada

@inproceedings{sahni2023online,
title={Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations},
author={Sahni, Harshita and Carrillo-Cabada, Hector and Kots, Ekaterina and Caino-Lores, Silvina and Marquez, Jack and Deelman, Ewa and Cuendet, Michel and Weinstein, Harel and Taufer, Michela and Estrada, Trilce},
booktitle={2023 IEEE 19th International Conference on e-Science (e-Science)},
pages={1--10},
year={2023},
organization={IEEE}
}

Recognition of Outstanding Future Generation Computer Systems Reviewers for 2022

Future Generation Computer Systems Michela Taufer

@misc{taufer2023recognition,
title={Recognition of Outstanding Future Generation Computer Systems Reviewers for 2022},
author={Taufer, Michela},
year={2023}
}

Building Trust in Earth Science Findings through Data Traceability and Results Explainability

IEEE Transactions on Parallel and Distributed Systems P Olaya, D Kennedy, R Llamas, L Valera, R Vargas, J Lofstead, M Taufer

@article{olaya2022building,
title={Building trust in earth science findings through data traceability and results explainability},
author={Olaya, Paula and Kennedy, Dominic and Llamas, Ricardo and Valera, Leobardo and Vargas, Rodrigo and Lofstead, Jay and Taufer, Michela},
journal={IEEE Transactions on Parallel and Distributed Systems},
volume={34},
number={2},
pages={704--717},
year={2022},
publisher={IEEE}
}

2022

Performance Assessment of Ensembles of In Situ Workflows under Resource Constraints

Journal of Concurrency and Computation: Practice and Experience (CCPE), 2022.Tu Mai Anh Do, Loïc Pottier, Rafael Ferreira da Silva, Silvina Caíno-Lores, Michela Taufer, and Ewa Deelman

@ARTICLE{elsevier-ccpe-tu-2022,
author = {Tu Mai Anh Do, Loïc Pottier, Rafael Ferreira da Silva, Silvina Caíno-Lores, and Michela Taufer and Ewa Deelman},
journal = {{Journal of Concurrency and Computation: Practice and Experience (CCPE)}},
title = {{Performance Assessment of Ensembles of In Situ Workflows under Resource Constraints}},
year = {2022},
volume = {},
number = {},
pages = {},
note = {{\it (Accepted)}},
}

Apex Predator Nematodes and Meso-Predator Bacteria Consume Their Basal Insect Prey through Discrete Stages of Chemical Transformations (open access)

mSystems, 2022.Nicholas C. Mucci, Katarina A. Jones, Mengyi Cao, Michael R. Wyatt, Shane Foye, Sarah J. Kauffman, Gregory R. Richards, Michela Taufer, Yoshito Chikaraishi, Shawn A. Steffan, Shawn R. Campagna, Heidi Goodrich-Blair, and Christopher R. Anderton.

@article{doi:10.1128/msystems.00312-22,
author = {Nicholas C. Mucci and Katarina A. Jones and Mengyi Cao and Michael R. Wyatt and Shane Foye and Sarah J. Kauffman and Gregory R. Richards and Michela Taufer and Yoshito Chikaraishi and Shawn A. Steffan and Shawn R. Campagna and Heidi Goodrich-Blair and Christopher R. Anderton },
title = {{Apex Predator Nematodes and Meso-Predator Bacteria Consume Their Basal Insect Prey through Discrete Stages of Chemical Transformations}},
journal = {{mSystems}},
volume = {0},
number = {0},
pages = {e00312-22},
year = {2022},
doi = {10.1128/msystems.00312-22},
}

AI4IO: A Suite of AI-Based Tools for IO-Aware Scheduling

International Journal of High Performance Computing Applications (IJHPCA), 2022.Michael R. Wyatt II+, and Stephen Herbein, and Todd Gamblin, and Michela Taufer.

@ARTICLE{sage-ijhpca-wyatt-2022,
author = {Michael R. Wyatt II+, and Stephen Herbein, and Todd Gamblin, and Michela Taufer},
journal = {{International Journal of High Performance Computing Applications (IJHPCA)}},
title = {{AI4IO: A Suite of AI-Based Tools for IO-Aware Scheduling}},
year = {2022},
volume = {36},
number = {3},
pages = {370-387},
doi = {10.1177/10943420221079765},
}

High Frequency Accuracy and Loss Data of Random Neural Networks Trained on Image Datasets (open access)

Data in Brief, Elsevier, 2022.A. Keller Rorabaugh, S. Caíno-Lores, T. Johnston, and M. Taufer.

@article{rorabaugh2022highfrequency,
author = {Ariel Keller Rorabaugh and Silvina Caíno-Lores and Travis Johnston and Michela Taufer},
title = {{High frequency accuracy and loss data of random neural networks trained on image datasets}},
journal = {Data in Brief},
volume = {40},
pages = {107780},
year = {2022},
issn = {2352-3409},
doi = {10.1016/j.dib.2021.107780},
url = {https://doi.org/10.1016/j.dib.2021.107780},
}

Building High-throughput Neural Architecture Search Workflows via a Decoupled Fitness Prediction Engine (open access)

IEEE Transactions on Parallel and Distributed Systems (TPDS), 2022. A. Keller Rorabaugh, S. Caíno-Lores, T. Johnston, and M. Taufer.

@ARTICLE{9674227,
author={Keller Rorabaugh, Ariel and Caíno-Lores, Silvina and Johnston, Travis and Taufer, Michela},
journal={{IEEE Transactions on Parallel and Distributed Systems}},
title={{Building High-Throughput Neural Architecture Search Workflows via a Decoupled Fitness Prediction Engine}},
year={2022},
volume={33},
number={11},
pages={2913-2926},
doi={10.1109/TPDS.2022.3140681}}

An Analytical Performance Model of Generalized Multi-Level Scheduling

International Journal of High Performance Computing Applications (IJHPCA), 2022.S. Herbein, T. Patki, D. H. Ahn, S. Mobo, C. Hathaway, S. Caíno-Lores, J. Corbett, D. Domyancic, T. R. W. Scogland, B. R. de Supinski, and M. Taufer.

@ARTICLE{sage-ijhpca-herbein-2022,
author = {S. Herbein and T. Patki and D. H. Ahn and S. Mobo and C. Hathaway and S. Caíno-Lores and J. Corbett and D. Domyancic and T. R. W. Scogland and B. R. de Supinski and M. Taufer},
journal = {{International Journal of High Performance Computing Applications (IJHPCA)}},
title = {{An Analytical Performance Model of Generalized Multi-Level Scheduling}},
year = {2022},
volume = {36},
number = {3},
pages = {289-306},
doi = {10.1177/10943420211051039},
}

VPIC 2.0: Next Generation Particle-in-Cell Simulations (open access)

IEEE Transactions on Parallel and Distributed Systems (TPDS), 2022. R. F. Bird, N. Tan, S. V. Luedtke, S. L. Harrell, M. Taufer, and B. J. Albright.

@ARTICLE {bird2022vpic,
author = {R. Bird and N. Tan and S. V. Luedtke and S. Harrell and M. Taufer and B. Albright},
journal = {{IEEE Transactions on Parallel & Distributed Systems}},
title = {{VPIC 2.0: Next Generation Particle-in-Cell Simulations}},
year = {2022},
volume = {33},
number = {04},
issn = {1558-2183},
pages = {952-963},
doi = {10.1109/TPDS.2021.3084795},
publisher = {IEEE Computer Society},
month = {apr}
}

2021

ANACIN-X: A Software Framework for Studying Non-Determinism in MPI Applications (open access)

Software Impacts, Elsevier, 2021. P. Bell, K. Suarez, D. Chapp, N. Tan, S. Bhowmick, and M. Taufer.

@article{bell2021anacinx,
author = {Patrick Bell and Kae Suarez and Dylan Chapp and Nigel Tan and Sanjukta Bhowmick and Michela Taufer},
title = {{ANACIN-X: A software framework for studying non-determinism in MPI applications}},
journal = {Software Impacts},
volume = {10},
pages = {100151},
year = {2021},
issn = {2665-9638},
doi = {10.1016/j.simpa.2021.100151},
url = {https://doi.org/10.1016/j.simpa.2021.100151},
}

Reproducing GW150914: The First Observation of Gravitational Waves From a Binary Black Hole Merger

IEEE Computing in Science and Engineering (CiSE), 2021. D. A. Brown, K. Vahi, M. Taufer, V. Welch, E. Deelman, L. A. Barba, and G. K. Thiruvathukal.

@ARTICLE {brown2021reproducing,
author = {D. A. Brown and K. Vahi and M. Taufer and V. Welch and E. Deelman},
journal = {{Computing in Science & Engineering}},
title = {{Reproducing GW150914: The First Observation of Gravitational Waves From a Binary Black Hole Merger}},
year = {2021},
volume = {23},
number = {02},
issn = {1558-366X},
pages = {73-82},
doi = {10.1109/MCSE.2021.3059232},
publisher = {IEEE Computer Society},
month = {mar}
}

A Lightweight Method for Evaluating in situ Workflow Efficiency

Journal of Computational Science, 2021. T. M. A. Do, L. Pottier, S. Caíno-Lores, R. Ferreira da Silva, M. A. Cuendet, H. Weinstein, T. Estrada, M. Taufer, and Ewa Deelman.

@article{do2021lightweight,
title={{A lightweight method for evaluating in situ workflow efficiency}},
author={Tu Mai Anh Do and Lo{\"i}c Pottier and Silvina Ca{\'i}no-Lores and Rafael Ferreira da Silva and Michel A. Cuendet and Harel Weinstein and Trilce Estrada and Michela Taufer and Ewa Deelman},
journal={{J. Comput. Sci.}},
year={2021},
volume={48},
pages={101259}
}

A Graphic Encoding Method for Quantitative Classification of Protein Structure and Representation of Conformational Changes

IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2021. H. Carrillo-Cabada, J. Benson, A. M. Razavi, B. Mulligan, M. A. Cuendet, H. Weinstein, M. Taufer, and Trilce Estrada.

@ARTICLE {carrillocabada2021graphic,
author = {H. Carrillo-Cabada and J. Benson and A. M. Razavi and B. Mulligan and M. A. Cuendet and H. Weinstein and M. Taufer and T. Estrada},
journal = {{IEEE/ACM Transactions on Computational Biology and Bioinformatics}},
title = {{A Graphic Encoding Method for Quantitative Classification of Protein Structure and Representation of Conformational Changes}},
year = {2021},
volume = {18},
number = {04},
issn = {1557-9964},
pages = {1336-1349},
doi = {10.1109/TCBB.2019.2945291},
publisher = {IEEE Computer Society},
month = {jul}
}

Identifying Degree and Sources of Non-Determinism in MPI Applications Via Graph Kernels (open access)

IEEE Transactions on Parallel and Distributed Systems (TPDS), 2021. D. Chapp, N. Tan, Sanjukta Bhowmick, and M. Taufer.

Gap-Free Global Annual Soil Moisture: 15km Grids for 1991-2018 (open access)

Earth System Science Data, 2021. M. Guevara, M. Taufer, and R. Vargas.
2020

Flux: Overcoming Scheduling Challenges for Exascale Workflows

Future Generation Computer Systems Journal, 2020.D. H. Ahn, N. Bass, A. Chu, J. Garlick, M. Grondona, S. Herbein, H. I. Ingolfsson, J. Koning, T. Patki, T. R. W. Scogland, B. Springmeyer, and M. Taufer.

Spatial Gap-Filling of ESA CCI Satellite-Derived Soil Moisture Based on Geostatistical Techniques and Multiple Regression

Remote Sensing, 2020.R. Llamas , M. Guevara , D. Rorabaugh, M. Taufer, and R. Vargas.

@article{llamas2020spatial,
title={{Spatial gap-filling of ESA CCI satellite-derived soil moisture based on geostatistical techniques and multiple regression}},
author={Llamas, Ricardo M and Guevara, Mario and Rorabaugh, Danny and Taufer, Michela and Vargas, Rodrigo},
journal={Remote Sensing},
volume={12},
number={4},
pages={665},
year={2020},
publisher={Multidisciplinary Digital Publishing Institute}
}

Memory-Efficient and Skew-Tolerant MapReduce over MPI for Supercomputing Systems

Journal of IEEE Transactions on Parallel and Distributed Systems (IEEE TPDS), 2020. T. Gao, Y. Guo, B. Zhang, P. Cicotti, Y. Lu, P. Balaji, and M. Taufer.

A Graphic Encoding Method for Quantitative Classification of Protein Structure and Representation of Conformational Changes

IEEE/ACM Transactions on Computational Biology and Bioinformatics (IEEE/ACM TCBC), 2020. H. Carrillo-Cabada, J. Benson, A. Razavi, B. Mulligan, M.A. Cuendet, H. Weinstein, M. Taufer, and T. Estrada.

Building a Vision for Reproducibility in the Cyberinfrastructure Ecosystem: Leveraging Community Efforts

Journal of Supercomputing Frontiers and Innovations. 7(1): 112-129, 2020. D. Chapp, V. Stodden, and M. Taufer.

A Survey of Algorithms for Transforming Molecular Dynamics Data into Metadata for In Situ Analytics based on Machine Learning Methods

Issue of Philosophical Transactions A., 378(2166):1-11, 2020.M. Taufer, T. Estrada, and T. Johnston.
2019

A Three-phase Workflow for General and Expressive Representations of Nondeterminism in HPC Applications

International Journal of High Performance Computing Applications (IJHPCA), 33(6): 1175-1184. 2019. D. Chapp, D. Rorabaugh(#), K. Sato, D. Ahn, and M. Taufer.

Creating a Portable, High-Level Graph Analytics Framework for Compute and Data-Intensive Applications

International Journal of High Performance Computing and Networking (IJHPCN), 13(1): 105-118, 2019. R. Searles, S. Herbein, T. Johnston, M. Taufer, and S. Chandrasekaran.

Spatial Gap-Filling of ESA CCI Satellite-Derived Soil Moisture based on Linear Geostatistics

Remote Sensing, 2019.2019090126 (doi: 10.20944/preprints201909.0126.v1) (Preprint).R. Llamas, M. Guevara, D. Rorabaugh (#), M. Taufer, and R. Vargas.
2018

The Future of Scientific Workflows

International Journal of High Performance Computing Applications (IJHPCA), 32(1): 159-175, 2018. E. Deelman, T. Peterka, I. Altintas, Christopher Carothers, K. Kleese van Dam, K. Moreland, M. Parashar, L. Ramakrishnan, M. Taufer, and J. Vetter.

Record-and-Replay Techniques for HPC Systems: A survey

Journal of Supercomputing Frontiers and Innovations, 5(1):11-30, 2018.D. Chapp(*), K. Sato, D. Ahn, and M. Taufer.
2017

In-Situ Data Analytics and Indexing of Protein Trajectories

Journal of Computational Chemistry (JCC), 38(16): 1419-1430, 2017. T. Johnston, B. Zhang, A. Liwo, S. Crivelli, and M. Taufer.

Enabling Scalable and Accurate Clustering of Distributed Ligand Geometries on Supercomputers

Journal of Parallel Computing (ParCo), 63: 38-60, 2017. B. Zhang, T. Estrada, P. Cicotti, P. Balaji, and M. Taufer.

The Future of Scientific Workflows

International Journal of High Performance Computing Applications (IJHPCA), 32(1): 159-175, 2017. E. Deelman, T. Peterka, I. Altintas, Christopher Carothers, K. Kleese van Dam, K. Moreland, M. Parashar, L. Ramakrishnan, M. Taufer, and J. Vetter.

Creating a Portable, High-Level Graph Analytics Framework For Compute and Data-Intensive Applications

International Journal of High Performance Computing and Networking (IJHPCN), 2017. (Accepted) R. Searles, S. Herbein, T. Johnston, M. Taufer, and S. Chandrasekaran.
2016

Enhancing Reproducibility for Computational Methods - Data, code and workflows should be available and cited

Science, 354(6317), December 9, 2016.V. Stodden, M. McNutt, D. H. Bailey, E. Deelman, Y. Gil, B. Hanson, M. A. Heroux, J. P.A. Ioannidis, and M. Taufer.

Performance Characterization of Irregular I/O at the Extreme Scale

Journal of Parallel Computing, 51: 17-36, 2016.S. Herbein, S. McDaniel, N. Podhorszki, S. Klasky, and M. Taufer.
2015

It-Situ Data Analysis of Protein Folding Trajectories

CoRR abs/1510.08789: 1-40, October 30, 2015.T. Johnston, B. Zhang, A. Liwo, S. Crivelli, and M. Taufer.

Scheduling DAG-based Workflows on Single Cloud Instances: High- performance and Cost Effectiveness with a Static Scheduler

International Journal of High Performance Computing Applications, pp. 1-10, doi: 10.1177/1094342015594518, July 22, 2015.M. Taufer and A. L. Rosenberg.
2014

Pursuing Resource Utilization and Coordinated Progression in GPU-enabled Molecular Simulations

IEEE Design&Test of Computers, IEEE Design&Test of Computers, 31(1): 40-50, February 2014.S. Schlachter, S. Herbein, S. Ou, J.S. Logan, S. Patel, and M. Taufer.

MEMS Accelerometers and Distributed Sensing for Rapid Earthquake Characterization

Bulletin of the Seismological Society of America (BSSA), January 7, 2014J. F. Lawrence, E.S. Cochran, A. Chung, A. Kaiser, C.M. Christensen, R. Allen, D. Anderson, J.W. Baker, B. Fry, T. Heaton, D. Kilb, M.D. Kohler, and M. Taufer.
2013

On the Powerful Use of Simulations in the Quake-Catcher Network to Efficiently Position Low-cost Earthquake Sensors

Future Generation Computer Systems, 29(8): 2128-2142, 2013.K. Benson, S. Schlachter, T. Estrada, M. Taufer, E. Cochran, and J. Lawrence.

Enhancement of Accuracy and Efficiency for RNA Secondary Structure Prediction by Sequence Segmentation and MapReduce

BMC Structural Biology Journal, 13(Suppl 1):S3, 2013B. Zhang, D. T. Yehdego, K. L. Johnson, M.-Y. Leung, and M. Taufer.

GPU enabled Macromolecular Simulation: Challenges and Opportunities

IEEE Computing in Science and Engineering (CiSE), 15(1): 56-64, 2013.M. Taufer, N. Ganesan, and S. Patel.
2012

A Scalable and Accurate Method for Classifying Protein-Ligand Binding Geometries using a MapReduce Approach

Comp. in Bio. and Med., 42(7): 758-771, 2012.T. Estrada, B. Zhang, P. Cicotti, R. Armen, and M. Taufer.

Hierarchical Fractional-step Approximations and Parallel Kinetic Monte Carlo Algorithms

J. Comput. Physics, 231(23): 7795-7814, 2012.G. Arampatzis, M.A. Katsoulakis, P. Plechac, M. Taufer, and L. Xu.
2011

Structural, Dynamic, and Electrostatic Properties of Fully Hydrated DMPC Bilayers from Molecular Dynamics Simulations Accelerated with Graphical Processing Units (GPUs)

J. Computational Chemistry, 32(14): 2958-2973, 2011.N. Ganesan, B.A. Bauer, T. Lucas, S. Patel, and M. Taufer.

Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy

Journal of Chemical Information and Modeling, J. Chemical Information and Modeling, 51(9): 2047-65, 2011.O. Rahaman, T. Estrada, D. Doren, M. Taufer, C. L. Brooks III, R.S. Armen.

Molecular Dynamics Simulations of Aqueous Ions at the Liquid-Vapor Interface Accelerated Using Graphics Processors

J. Comp. Chem., (32)3: 375–385, 2011.B.A. Bauer, J.E. Davis, M. Taufer, and S. Patel.
2010

A 3 Terminal Stem-loop Structure in Nodamura Virus RNA2 Forms an Essential Cis-acting Signal for RNA replication

Virus Research, Virus Research, 150: 12-21, 2010.J.J. Rosskopf, John H. Upton, III, M.-Y. Leung, M. Taufer, and K. L. Johnson.
2009

Performance Prediction and Analysis of BOINC Projects: An Empirical Study with EmBOINC

J. Grid Computing, 7: 537-554, 2009. T. Estrada, M. Taufer, and D. Anderson.

Computational Multi-Scale Modeling in Protein-Ligand Docking

IEEE Engineering in Medicine and Biology Magazine. 28(2): 58-69, 2009. M. Taufer, R.S. Armen, J. Chen, P.J. Teller, and C.L. Brooks III.

PseudoBase++: An Extension of PseudoBase for Easy Searching, Formatting, and Visualization of Pseudoknots

Nucleic Acids Research. Database Issue, 37, 2009. D129 doi: 10.1093/nar/gkn806 M. Taufer, A. Licon, R. Araiza, D. Mireles, A. Gultyaev, F.H.D. Van Batenburg, M-Y Leung.
2008

RNAVLab: A Virtual Laboratory for Studying RNA Secondary Structures based on Grid Computing Technology. Journal of Parallel Computing

34: 661-680, 2008.M. Taufer, M-Y. Leung, T. Solorio, A. Licon, D. Mireles, R. Araiza, K.L. Johnson.

A Distributed Evolutionary Method to Design Scheduling Policies for Volunteer Computing

ACM SIGMETRICS Performance Evaluation Review Journal. 36(3): 40-49, December 2008.T. Estrada, O. Fuentes, and M. Taufer.
2006

Integrate GridFTP into Firefox - Build grid protocols into Mozilla-based tools

IBM developerWorks, 10 Oct 2006.K. Bhatia, M. Taufer, B. Stearn, R. Zamudio, D. Catarino.

Predictor@Home: A Protein Structure Prediction Supercomputer Based on Global Computing

IEEE Transactions on Parallel and Distributed Systems. 17(8): 786-796, August 2006.M. Taufer, C. An, A. Kerstens , and C.L. Brooks III.
2005

Study of an Accurate and Fast Protein-Ligand Docking Algorithm based on Molecular Dynamics

Concurrency and Computation: Practice and Experience. (17)14: 1627-1641, December 2005. M. Taufer, M. Crowley, D. Price, A.A. Chien, and C.L. Brooks III.

a Performance Monitoring Tool for Sandbox-based Desktop Grid Platforms

The Journal of Supercomputing. Springer Science+Business Media B.V., Formerly Kluwer Academic Publishers B.V. 34(2): 113 - 133, November 2005. P. Cicotti, M. Taufer, and A.A. Chien: DGMonitor.

The Computational Chemistry Prototyping Environment

Proceedings of the IEEE Special Issue on Grid Computing. 93(3): 512-521, March 2005. K. Baldridge, J.P. Greenberg, W. Sudholt, K. Bhatia, S. Mock, C. Amoreira, Y. Potier, and M. Taufer.

Book Chapters (Top)

 
 
2016

Data Movement in Data-Intensive High Performance Computing

Conquering Big Data with High Performance Computing. Springer International Publishing AG. ISBN 9783319337401. 2016. P. Cicotti, S. Oral, G. Kestor, R. Gioiosa, S. Strande, M. Taufer, J. H. Rogers, H. Abbasi, J. Hill, and L. Carrington.
2012

Scheduling on Large Scale Volatile Desktop Grids, from Greedy and Naive to Intelligent and Adaptive Policies

Chapter in "Desktop Grid Computing", Christophe Cerin and Gilles Fedak (Eds.), Chapman and Hall/CRC, 2012.T. Estrada and M. Taufer.
2011

Protein Docking

In Encyclopedia of Parallel Computing, Padua, David (Ed.),1st Edition., 2011, 2500 p. In 4 volumes, not available separately. Hardcover. ISBN: 978-0-387-09765-7. R.S. Armen, E.R. May, and M. Taufer.
2008

A Protein Structure Prediction Supercomputer Based on Volunteer Computing

(2008). In: Distributed & Grid Computing – Science Made Transparent for Everyone. Principles, Applications and Supporting Communities (Weber, M.H.W., ed). Rechenkraft.net, Marburg.M. Taufer and C.L. Brooks III, Predictor@Home.

Research Papers in Refereed Conferences, Symposiums, and Workshops (Top)

 
 
2022

Enabling Call Path Querying in Hatchet to Identify Performance Bottlenecks in Scientific Applications

In Proceedings of the 18th IEEE International Conference on e-Science (eScience), Salt Lake City, Utah, 2022.Ian Lumsden, Jakob Luettgau, Vanessa Lama, Connor Scully-Allison, Stephanie Brink, Katherine E. Isaacs, Olga Pearce and M. Taufer.

@inproceedings{ian_escience22,
author = {Ian Lumsden and Jakob Luettgau and Vanessa Lama and Connor Scully-Allison and Stephanie Brink and Katherine E. Isaacs and Olga Pearce and {\bf Michela Taufer}},
title = {{Enabling Call Path Querying in Hatchet to Identify Performance Bottlenecks in Scientific Applications}},
booktitle = {Proceedings of the 18th IEEE International Conference on e-Science (eScience)},
pages = {1--10},
address = {Salt Lake City, Utah, USA},
date = {October 10-14, 2022},
year = {2022},
publisher = {{IEEE} Computer Society},
}

Identifying Structural Properties of Proteins from X-ray Free Electron Laser Diffraction Patterns

In Proceedings of the 18th IEEE International Conference on e-Science (eScience), Salt Lake City, Utah, 2022.Paula Olaya, Silvina Caino-Lores, Vanessa Lama, Ria Patel, Ariel Keller Rorabaugh, Osamu Miyashita, Florence Tama and Michela Taufer.

@inproceedings{polaya_escience22,
author = {Paula Olaya and Silvina Caino-Lores and Vanessa Lama and Ria Patel and Ariel Keller Rorabaugh and Osamu Miyashita and Florence Tama and {\bf Michela Taufer}},
title = {{Identifying Structural Properties of Proteins from X-ray Free Electron Laser Diffraction Patterns}},
booktitle = {Proceedings of the 18th IEEE International Conference on e-Science (eScience)},
pages = {1--10},
address = {Salt Lake City, Utah, USA},
date = {October 10-14, 2022},
year = {2022},
publisher = {{IEEE} Computer Society},
}

Augmenting Singularity to Generate Fine-grained Workflows, Record Trails, and Data Provenance

In Proceedings of the 18th IEEE International Conference on e-Science (eScience), Salt Lake City, Utah, 2022.Dominic Kennedy, Paula Olaya, Jay Lofstead, Rodrigo Vargas, and Michela Taufer.

@inproceedings{domenic_escience22,
author = {Kennedy, Dominic and Olaya, Paula and Lofstead, Jay and Vargas, Rodrigo and Taufer, Michela},
title = {{Augmenting Singularity to Generate Fine-grained Workflows, Record Trails, and Data Provenance}},
booktitle = {Proceedings of the 18th IEEE International Conference on e-Science (eScience)},
pages = {1--2},
address = {Salt Lake City, Utah, USA},
date = {October 10-14, 2022},
year = {2022},
publisher = {IEEE Computer Society},
note = {{\it (Short paper)}},
}

Ubique: A New Model for Untangling Inter-task Data Dependence in Complex HPC Workflows

In Proceedings of the 18th IEEE International Conference on e-Science (eScience), Salt Lake City, Utah, 2022.Jae-Seung Yeom, Dong H. Ahn, Ian Lumsden, Jakob Luettgau, Silvina Caino-Lores and Michela Taufer.

@inproceedings{yeom_escience22,
author = {Yeom, Jae-Seung and Ahn, Dong H. and Lumsden, Ian and Luettgau, Jakob and Caino-Lores, Silvina and Taufer, Michela},
title = {{Ubique: A New Model for Untangling Inter-task Data Dependence in Complex HPC Workflows}},
booktitle = {Proceedings of the 18th IEEE International Conference on e-Science (eScience)},
pages = {1--2},
address = {Salt Lake City, Utah, USA},
date = {October 10-14, 2022},
year = {2022},
publisher = {IEEE Computer Society},
note = {{\it (Short paper)}},
}

The Materials Commons Data Repository

In Proceedings of the 18th IEEE International Conference on e-Science (eScience), Glenn Tarcea, Brian Puchala, Tracy Berman, Giorgio Scorzelli, Valerio Pascucci, Michela Taufer, and John Allison.

@inproceedings{glenn_escience22,
author = {Tarcea, Glenn and Puchala, Brian and Berman, Tracy and Scorzelli, Giorgio and Pascucci, Valerio and Taufer, Michela and Allison, John},
title = {{The Materials Commons Data Repository}},
booktitle = {Proceedings of the 18th IEEE International Conference on e-Science (eScience)},
pages = {1--2},
address = {Salt Lake City, Utah, USA},
date = {October 10-14, 2022},
year = {2022},
publisher = {IEEE Computer Society},
note = {{\it (Short paper)}},
}

A Methodology to Generate Efficient Neural Networks for Classification of Scientific Datasets

In Proceedings of the 18th IEEE International Conference on e-Science (eScience), Ria Patel, Ariel Keller Rorabaugh, Paula Olaya, Silvina Caino-Lores, Georgia Channing, Catherine Schuman, Osamu Miyashita, Florence Tama and Michela Taufer.

@inproceedings{ria_escience22,
author = {Patel, Ria and Rorabaugh, Ariel Keller and Olaya, Paula and Caino-Lores, Silvina and Channing, Georgia and Schuman, Catherine and Miyashita, Osamu and Tama, Florence and Taufer, Michela},
title = {{A Methodology to Generate Efficient Neural Networks for Classification of Scientific Datasets}},
booktitle = {Proceedings of the 18th IEEE International Conference on e-Science (eScience)},
pages = {1--2},
address = {Salt Lake City, Utah, USA},
date = {October 10-14, 2022},
year = {2022},
publisher = {IEEE Computer Society},
note = {{\it (Short paper)}},
}

NSDF-FUSE: A Testbed for Studying Object Storage via FUSE File Systems

In Proceedings of the 31st International ACM Symposium on High-Performance Parallel and Distributed Computing (HPDC), pp. 1-2. Minneapolis, Minnesota. 2022.Paula Olaya, Jakob Luettgau, Naweiluo Zhou, Giorgio Scorzelli, Jay Lofstead, Valerio Pascucci, and M. Taufer.

@inproceedings{DBLP:conf/cluster/OlayaHPDC22, author = { Paula Olaya and Jakob Luettgau and Naweiluo Zhou and Giorgio Scorzelli and Jay Lofstead and Valerio Pascucci and {\bf Michela Taufer} },
title = {{NSDF-FUSE: A Testbed for Studying Object Storage via FUSE File Systems}},
booktitle = {Proceedings of the 31st International ACM Symposium on High-Performance Parallel and Distributed Computing (HPDC)},
publisher = {{IEEE} Computer Society},
pages = {1--2},
address = {Minneapolis, Minnesota},
month = {June},
year = {2022},
note = {{\it (Short paper)}},
}

NSDF-Cloud: Enabling Ad-Hoc Compute Clusters Across Academic and Commercial Clouds

In Proceedings of the 31st International ACM Symposium on High-Performance Parallel and Distributed Computing (HPDC), pp. 1-2. Minneapolis, Minnesota. 2022.Paula Olaya, Jakob Luettgau, Naweiluo Zhou, Giorgio Scorzelli, Jay Lofstead, Valerio Pascucci, and M. Taufer.

@inproceedings{DBLP:conf/cluster/LuettgauHPDC22,
author = { Jakob Luettgau and Paula Olaya and Naweiluo Zhou and Giorgio Scorzelli and Valerio Pascucci and Michela Taufer},
title = {{NSDF-Cloud: Enabling Ad-Hoc Compute Clusters Across Academic and Commercial Clouds}},
booktitle = {Proceedings of the 31st International ACM Symposium on High-Performance Parallel and Distributed Computing (HPDC)},
publisher = {{ACM}},
pages = {1--2},
address = {Minneapolis, Minnesota},
month = {June},
year = {2022},
note = {{\it (Short paper)}},
}

2021

A Roadmap to Robust Science for High-throughput Applications: The Developers’ Perspective

In Proceedings of the IEEE Cluster Conference on Cluster Computing (CLUSTER), pp. 807-808. Portland, Oregon. 2021.M. Taufer, E. Deelman, R. Ferreira da Silva, T. Estrada, M. Hall, and M. Livny.

@INPROCEEDINGS {taufer2021roadmapdevelopers,
author = {M. Taufer and E. Deelman and R. Silva and T. Estrada and M. Hall and M. Livny},
booktitle = {{2021 IEEE International Conference on Cluster Computing (CLUSTER)}},
title = {{A Roadmap to Robust Science for High-throughput Applications: The Developers' Perspective}},
year = {2021},
pages = {807-808},
doi = {10.1109/Cluster48925.2021.00068},
url = {https://doi.ieeecomputersociety.org/10.1109/Cluster48925.2021.00068},
publisher = {{IEEE} Computer Society},
month = {sep}
}

A Case Study in Scientific Reproducibility from the Event Horizon Telescope (EHT)

In Proceedings of the IEEE 17th International Conference on eScience, pp. 249-250. Innsbrruck, Austria. September, 2021.R. Ketron#, J. Leonard#, B. Roachell#, R. Patel#, R. White, S. Caíno-Lores, N. Tan, P. Miles, K. Vahi, E. Deelman, D. A. Brown, and M. Taufer.

@INPROCEEDINGS{ketron2021casestudy,
author={Ketron, R. and Leonard, J. and Roachell, B. and Patel, R. and White, R. and Caíno-Lores, S. and Tan, N. and Miles, P. and Vahi, K. and Deelman, E. and Brown, D. and Taufer, M.},
booktitle={{2021 IEEE 17th International Conference on eScience (eScience)}},
title={{A Case Study in Scientific Reproducibility from the Event Horizon Telescope (EHT)}}
, year={2021},
pages={249-250},
doi={10.1109/eScience51609.2021.00045}
}

A Roadmap to Robust Science for High-throughput Applications: The Scientists’ Perspective

In Proceedings of the IEEE 17th International Conference on eScience, pp. 247-248. Innsbrruck, Austria. September, 2021.M. Taufer, E. Deelman, R. Ferreira da Silva, T. Estrada, and M. Hall

@INPROCEEDINGS{taufer2021roadmapscientists,
author={Taufer, M. and Deelman, E. and da Silva, R. Ferreira and Estrada, T. and Hall, M.},
booktitle={{2021 IEEE 17th International Conference on eScience (eScience)}},
title={{A Roadmap to Robust Science for High-throughput Applications: The Scientists’ Perspective}},
year={2021},
pages={247-248},
doi={10.1109/eScience51609.2021.00044}
}

Assessing Resource Provisioning and Allocation of Ensembles of In Situ Workflows

In 50th International Conference on Parallel Processing Workshop (ICPP). Chicago, Illinois, USA, August 2021.T. M. A. Do, L. Pottier, R. Ferreira da Silva, S. Caíno-Lores, M. Taufer, and E. Deelman

@inproceedings{do2021assessing, author = {Do, Tu Mai Anh and Pottier, Lo\"{\i}c and Ferreira da Silva, Rafael and Ca\'{\i}no-Lores, Silvina and Taufer, Michela and Deelman, Ewa},
title = {{Assessing Resource Provisioning and Allocation of Ensembles of In Situ Workflows}},
year = {2021},
isbn = {9781450384414},
publisher = {Association for Computing Machinery},
url = {https://doi.org/10.1145/3458744.3474051},
doi = {10.1145/3458744.3474051},
booktitle = {{50th International Conference on Parallel Processing Workshop}},
articleno = {38},
numpages = {10},
}

Optimize Memory Usage in Vector Particle-In-Cell (VPIC) to Break the 10 Trillion Particle Barrier in Plasma Simulations

In Proceedings of the 21st International Conference on Computational Science (ICCS), pp. 452-465. Krakow, Poland. June, 2021.N. Tan, R. F. Bird, G. Chen, and M. Taufer

@inproceedings{Tan2021OptimizeMU,
title={{Optimize Memory Usage in Vector Particle-In-Cell (VPIC) to Break the 10 Trillion Particle Barrier in Plasma Simulations}},
author={Nigel Tan and Robert Francis Bird and Guangye Chen and Michela Taufer},
booktitle={{ICCS}},
year={2021}
}

2020

A Novel Metric to Evaluate In Situ Workflows

In Proceedings of the International Conference on Computational Science (ICCS), pp. 1 – 14. Amsterdam, The Netherlands. 2020.T. Mai Anh Do, L. Pottier, S. Thomas, R. Ferreira da Silva, M. A. Cuendet, H. Weinstein, T. Estrada, M. Taufer, and E. Deelman.

CanarIO: Sounding the Alarm on IO-Related Performance Degradation

In Proceedings of the 34th IEEE International Parallel and Distributed Processing Symposium (IPDPS), pp. 1-12. New Orleans, LA, USA. May 18-22, 2020. (Acceptance Rate: 45/110, 24.7%) M.R. Wyatt II, S. Herbein, K. Shoga, T. Gamblin, and M. Taufer.
2019

Characterization of In Situ and In Transit Analytics of Molecular Dynamics Simulations for Next-generation Supercomputers

In Proceedings of the IEEE eScience Conference, pp.1-12. San Diego, CA, USA. September 24-27, 2019. S. Thomas, M. Wyatt, T. M. Anh Do, L. Pottier, R. Ferreira da Silva, H. Weinstein, M. A. Cuendet, T. Estrada, E. Deelman, and M. Taufer.

SOMOSPIE: A Modular SOil MOisture SPatial Inference Engine based on Data Driven Decisions

In Proceedings of the IEEE eScience Conference, pp. 1-10. San Diego, CA, USA. September 24-27, 2019. D. Rorabaugh, M. Guevara, R. Llamas, J. Kitson, R. Vargas, and M. Taufer.

Characterization of Power Usage and Performance in Data-Intensive Applications using MapReduce over MPI

In Proceedings of the International Conference on Parallel Computing (ParCo), pp. 1-16. Prague, Check Republic. September 10-13, 2019. J. Davis, T. Gao, S. Chandrasekaran, J. Heike, D. Anthony, B. Pavan, J. Dongarra, and M. Taufer.

Initial Thoughts on Cybersecurity And Reproducibility

In Proceedings of the 2nd International Workshop on Practical Reproducible Evaluation of Computer Systems (P-REC), co-located with the ACM HPDC Conference, 1-6. Phoenix, AZ, June 2019. V. Welch, V. Stodden, E. Deelman, and M. Taufer.

Applicability study of the PRIMAD model to LIGO gravitational wave search workflows

In Proceedings of the 2nd International Workshop on Practical Reproducible Evaluation of Computer Systems (P-REC), co-located with the ACM HPDC Conference, 1-6. Phoenix, AZ, June 2019. D. Chapp(+), D. Rorabaugh(#), D. Brown, E. Deelman, K. Vahi, V. Welch, and M. Taufer.
2018

On the Power of Combiner Optimizations in MapReduce over MPI Workflows

In Proceedings of the IEEE 24rd International Conference on Parallel and Distributed Systems (ICPADS), pp. 1-10. Singapore. December 11-13, 2018. T. Gao, Y. Guo, B. Zhang, P. Cicotti, Y. Lu, P. Balaji, and M. Taufer.

Flux: Overcoming Scheduling Challenges for Exascale Workflows

In Proceedings of the 13th Workshop on Workflows in Support of Large-Scale Science (WORKS), Supercomputing, Dallas, TX, November 2018. D. H. Ahn, N. Bass, A. Chu, J. Garlick, M. Grondona, S. Herbein, J. Koning, T. Patki, T. R. W. Scogland, B. Springmeyer, and M. Taufer.

Graphic Encoding of Proteins for Efficient High-Throughput Analysis

In Proceedings of the 9th ACM Conference on Bioinformatics, Computational Biology, and Health Informatics (BCB), pp. 1-10. Washington, DC, USA. August 29 - September 1, 2018. T. Estrada, J. Benson, H. Carrillo-Cabada, A. Razavi, M. Cuendet, H. Weinstein, E. Deelman, and M. Taufer.

Leveraging Neural Networks for Resource Prediction and IO-Aware Scheduling

In Proceedings of the International Conference on Parallel Processing (ICPP), pp. 1-10. Eugene, OR, USA. August 13-16, 2018. R. Wyatt II, S. Herbein, T. Gamblin, A. Moody, D. Ahn, and M. Taufer.

KeyBin2: Distributed Clustering for Scalable and In-Situ Analysis

In Proceedings of the International Conference on Parallel Processing (ICPP), pp. 1-10. Eugene, OR, USA. August 13-16, 2018.X. Chen, M. Peterson, J. Benson, M. Taufer, and T. Estrada.

Leveraging In Situ Data Analysis to Enable Computational Steering of Brain’s NeocortexSimulations with GENESIS

In Proceedings of the International Symposium on Advances in High Performance Computing and Networking (AHPCN), pp. 1 – 8. Exeter, England, UK. June 28-30, 2018. S. McDaniel, D. L. Boothe, D. R. Shires, A. B. Yu, and M. Taufer.
2017

Bloomfish: A Highly Scalable Distributed K-mer Counting Framework

In Proceedings of the IEEE 23rd International Conference on Parallel and Distributed Systems (ICPADS). Shenzhen, China. December 15-17, 2017. T. Gao, Y. Guo, Y. Wei, B. Zhang, Y. Lu, P. Cicotti, P. Balaji, and M. Taufer.

Mimir: Memory-Efficient and Scalable MapReduce for Large Supercomputing Systems

In Proceedings of the IEEE/ACM International Parallel and Distributed Processing Symposium (IPDPS). Orlando, Florida, USA. May 29-Jun 2, 2017. T. Gao, Y. Guo, B. Zhang, P. Cicotti, Y. Lu, P. Balaji, and M. Taufer.
2016

HYPPO: A Hybrid, Piecewise Polynomial Modeling Technique for Non-Smooth Surfaces

In Proceedings of the 28th IEEEE International Symposium on Computer Architecture and High Performance Computing (SBAC-PAD), pp. 1 – 8. Los Angeles, CA, USA. October 26-28, 2016. (One of four Best Paper Candidatate)T. Johnston, C. Zannin, and M. Taufer.

Scheduling Matters: Area-oriented Heuristics for Resource Management

In Proceedings of the 28th IEEEE International Symposium on Computer Architecture and High Performance Computing (SBAC-PAD), pp. 1 - 8. Los Angeles, CA, USA. October 26 – 28, 2016.J. Benson, T. Estrada, A. Rosenberg, and M. Taufer.

Development of a Scalable Method for Creating Food Groups Using the NHANES Dataset and MapReduce

In Proceedings of the ACM Bioinformatics and Computational Biology Conference (BCB), pp. 1 - 10. Seattle, WA, USA. October 2 – 4, 2016.M. Wyatt, T. Johnston, M. Papas, and M. Taufer.

Machine Learning Predictions of Runtime and IO Traffic on High-end Clusters

IEEE Cluster Conference, pp. 1-4. Taipei, Taiwan. September 12-16, 2016.R. McKenna, S. Herbein, A. Moody, T. Gamblin, and M. Taufer.

Scalable I/O-Aware Job Scheduling for Burst Buffer Enabled HPC Clusters

In Proceedings of the ACM International Symposium on High-Performance Parallel and Distributed Computing (HPDC), pp. 1-10. Kyoto, Japan. May 30-Jun 4, 2016.S. Herbein, D. H. Ahn, D. Lipari, T. R.W. Scogland, M. Stearman, M. Grondona, J. Garlick, B. Springmeyer, and M. Taufer.

Resource Management for Running HPC Applications in Container Clouds

In Proceedings of the International Supercomputing Conference (ISC), pp. 1-19. Frankfurt, Germany. June 19-23, 2016.S. Herbein, A. Dusia, A. Landwehr, S. McDaniel, J. Monsalve, Y. Yang, S. R. Seelam, and M. Taufer.
2015

A Genetic Programming Approach to Design Resource Allocation Policies for Heterogeneous Workflows in the Cloud

In Proceedings of the 21th IEEE International Conference on Parallel and Distributed Systems (ICPADS), pp. 372-379. Melbourne, Australia. December 14-16, 2015. T. Estrada, M. R. Wyatt, and M. Taufer.
2014

Bandwidth Modeling in Large Distributed Systems for Big Data Applications

In Proceedings of International Conference on Parallel and Distributed Computing, Applications and Technologies (PDCAT). Hong Kong, December 9-11, 2014. B. Javadi, B. Zhang, and M. Taufer.

Using Surrogate-based Modeling to Predict Optimal I/O Parameters of Applications at the Extreme Scale

In Proceedings of the 20th IEEE International Conference on Parallel and Distributed Systems (ICPADS 2014), Hsinchu, Taiwan, December 16-19, 2014. M. Matheny, S. Herbein, N. Podhorszki, S. Klasky, M. Taufer.

Applying Frequency Analysis Techniques to DAG-based Workflows to Benchmark and Predict Resource Behavior on Non-Dedicated Clusters

In Proceedings of CLUSTER 2014, Madrid, Spain, September 22-26, 2014. V.K. Pallipuram, J. DiMarco, and M. Taufer.

Benchmarking the Performance of Scientific Applications with Irregular I/O at the Extreme Scale

In Proceedings of the Seventh International Workshop on Parallel Programming Models and Systems Software for High-End Computing (P2S2), Minneapolis, Minnesota, 2014. S Herbein, S. Klasky, and M. Taufer.

Study the Network Impact on Earthquake Early Warning in the Quake-Catcher Network Project

In the Proceedings of the International Conference on Computational Science (ICCS), Cairns, Australia, 2014. M. Portnoi, S. Schlachter and M. Taufer.

Enabling In-situ Data Analysis for Large Protein Folding Trajectory Datasets

In the Proceedings of the 28th IEEE International Parallel and Distributed Processing Symposium (IPDPS), Phoenix (Arizona) USA, 2014. B. Zhang, T. Estarda, P. Cicotti, M. Taufer.
2013

Performance Dissection of a MD Code across CUDA and GPU Generations

In Proceedings of the 14th IEEE International Workshop on Parallel and Distributed Scientific and Engineering Computing (PDSEC-13), April 2013, Boston, Massachusetts, USA.M. Wezowicz, T. Estrada, S. Patel, and M. Taufer.

Secondary Structure Predictions for Long RNA Sequences based on Inversion Excursions and MapReduce

In Proceedings of 12th IEEE International Workshop on High Performance Computational Biology (HiCOMB), April 2013, Boston, Massachusetts, USA.D. Yehdego, B. Zhang, V. K. R. Kodimala, K. Johnson, M. Taufer, and M.-Y. Leung.

Performance Impact of Dynamic Parallelism on Different Clustering Algorithms and the New GPU Architecture

In Proceedings of the DSS11 SPIE Defense, Security, and Sensing Symposium - Modeling and Simulation for Defense Systems and Applications VI, April 2013, Baltimore, Maryland, USA.J. DiMarco and M. Taufer.
2012

ExSciTecH: Expanding Volunteer Computing to Explore Science, Technology, and Health

In Proceedings of the 2nd workshop on Analyzing and Improving Collaborative eScience with Social Networks (eSoN 12), October 2012, Chicago, Illinois, USA. M. Matheny, S. Schlachter, L. Crouse, E. Kimmel, T. Estrada, M. Schumann, R. Armen, G. Zoppetti, and M. Taufer.

A modularized MapReduce framework to support RNA secondary structure prediction and analysis workflows

In Proceedings of the 2012 Computational Structural Bioinformatics Workshop (CSBW), October 2012, Philadelphia, Pennsylvanian, USA.B. Zhang, D. Yehdego, K. Johnson, M.-Y. Leung, and M. Taufer.

Reengineering high-throughput molecular datasets for scalable clustering using MapReduce

In Proceedings of the 14th IEEE International Conference on High Performance Computing and Communications (HPCC-2012), June 2012, Liverpool, England, UK.T. Estrada, B. Zhang, P. Cicotti, R. Armen, and M. Taufer.

Dealing with performance/portability and performance/accuracy trade-offs in heterogeneous computing systems: A case study with matrix multiplication modulo primes

In Proceedings of the DSS11 SPIE Defense, Security, and Sensing Symposium - Modeling and Simulation for Defense Systems and Applications VI, April 2012, Baltimore, Maryland, USA.M. Wezowicz, B. D. Saunders, and M. Taufer.
2011

On the Powerful Use of Simulations in the Quake-Catcher Network to Efficiently Position Low-cost Earthquake Sensors

In the Proceedings of the Seventh IEEE International Conference on e-Science and Grid Technologies (eScience), December 2011, Stockholm, Sweden.K. Benson, T. Estrada, M. Taufer, E. Cochran, and J. Lawrence.

Simulating Application Resilience at Exascale

In Proceedings of the 4th Workshop on Resiliency in High Performance Computing (Resilience) in Clusters, Clouds, and Grids, held in conjunction with the 17th International European Conference on Parallel and Distributed Computing (Euro-Par), August 30, 2011, Bordeaux, France. R. Riesen, K. Ferreira, M. Ruiz Varela, M. Taufer and A. Rodrigues.

Providing Application-Level QoS in Volunteer Computing

In the Proceedings of the 13th IEEE High Performance Computing and Communications (HPCC) Conference. September 2011, Banff, Canada. T. Estrada and M. Taufer.

FEN ZI: GPU Enabled Molecular Dynamics Simulation of Large Membrane Regions Based on CHARMM Force Field and PME

In Proceedings of the Tenth IEEE Workshop on Hi-Performance Computational Biology (HiCOMB), May 2011, Anchorage (Alaska) USA. N. Ganesan, B. Bauer, S. Patel and M. Taufer.

Rolling Partial Prefix-Sums to Speedup Uniform and Affine Recurrence Equations

In Proceedings of SPIE, Defense, Security and Sensing Conference. April 2011, Orlando, FL, USA.N. Ganesan , R.D. Chamberlain, J. Buhler and M. Taufer.
2010

Automatic Selection of Near-Native Protein-Ligand Conformations using a Hierarchical Clustering and Volunteer Computing

In Proceedings of the International Conference On Bioinformatics and Computational Biology (ACM-BCB), August 2010, Niagara Falls, NY, USA.T. Estrada, R. Armen, and M. Taufer.

Accelerating HMMER on GPUs by Implementing Hybrid Data and Task Parallelism

In Proceedings of the International Conference On Bioinformatics and Computational Biology (ACM-BCB), August 2010, Niagara Falls, NY, USA.N. Ganesan, R.D. Chamberlain, J. Buhler, and M. Taufer.

Parallelization of Tau-Leap Coarse-Grained Monte Carlo Simulations on GPUs

In Proceedings of the IEEE/ACM International Parallel and Distributed Processing Symposium (IPDPS), April 2010, Atlanta, Georgia, USA.L. Xu, M. Taufer, S. Collins, and D. G. Vlachos.

Improving Numerical Reproducibility and Stability in Large-Scale Numerical Simulations on GPUs

In Proceedings of the IEEE/ACM International Parallel and Distributed Processing Symposium (IPDPS), April 2010, Atlanta, Georgia, USA.M. Taufer, O. Padron, P. Saponaro, S. Patel.

A Dynamic Programming Algorithm for Finding the Optimal Segmentation of an RNA Secondary Structure Prediction

In Proceedings of the International Conference on Bioinformatics and Computational Biology (BICoB), March 2010, Honolulu, Hawaii, USA.A. Licon, M. Taufer, M.-Y. Leung, and K.L. Johnson.
2009

MNEOMIC: Network Environment for Measurement and Observation for Network Interaction and Control

In Proceedings of the 1st Workshop on Grid and P2P Systems and Applications (GridPeer), held together with the 18th IEEE International Conference on Computer Communications and Networks (ICCCN), 2009.P. McClory, E. Kissel, D. M. Swany, and M. Taufer.

Applying Organizational Self-Design to a Real-world Volunteer Computing System

In Proceedings of Agent Design: Advancing from Theory to Practice (ADAPT) Workshop, 2009. S. Kamboj, T. Estrada, M. Taufer, and K. S. Decker.

Balancing Scientist Needs and Volunteer Preferences in Volunteer Computing using Constraint Optimization

In Proceedings of the International Conference on Computational Science (ICCS), May 2009, Baton Rouge, Louisiana, USA.J. Atlas, T. Estrada, K. Decker, and M. Taufer.

EmBOINC: An Emulator for Performance Analysis of BOINC Projects

In Proceedings of PCGrid 2009, May 2009, Rome, ItalyT. Estrada, K. Reed, D. Anderson, and M. Taufer.

Modeling Job Lifespan Delays in Volunteer Computing Projects

In Proceedings of to the 9th IEEE International Symposium on Cluster Computing and Grid (CCGrid), May 2009, shanghai, China.T. Estrada, K. Reed, and M. Taufer.

Towards Large-Scale Molecular Dynamics Simulations on Graphics Processors.

In Proceedings of the International Conference on Bioinformatics and Computational Biology (BICoB), April 2009, New Orleans, Louisiana, USAJ.E. Davis, A. Ozsoy, S. Patel, and M. Taufer.
2008

A Distributed Evolutionary Method to Design Scheduling Policies for Volunteer Computing

In Proceedings of ACM Computing Frontiers 2008, May 2008, Ischia, Italy.T. Estrada, O. Fuentes, and M. Taufer.

On the Effectiveness of Rebuilding RNA Secondary Structures from Sequence Chunks

In Proceedings of the Seventh IEEE International Workshop on High Performance Computational Biology (HiCOMB 2008), April 2008, Miami, Florida, USA.M. Taufer, T. Solorio, A. Licon, D. Mireles, and M.-Y. Leung.
2007

Evaluation of IEEE 754 Floating-Point Arithmetic Compliance Across a Wide Range of Heterogeneous Computers

In Proceedings of the 2007 Richard Tapia Celebration of Diversity in Computing Conference, October 2007, Orlando, Florida, USA.G. Lopez, M. Taufer, and P.J. Teller.

Towards Optimal Scheduling for Global Computing Under Probabilistic, Interval, and Fuzzy Uncertainty, with Potential Applications to Bioinformatics

In Proceedings of the 26th International Conference of the North American Fuzzy Information Processing Society (NAFIPS'2007), June 2007San Diego, California, USA.R. Araiza, M. Taufer, and M.-Y. Leung.

SimBA: a Discrete Event Simulator for Performance Prediction of Volunteer Computing Projects

In Proceedings of the International Workshop on Principles of Advanced and Distributed Simulation 2007 (PADS'07), June 2007, San Diego, California, USA.M. Taufer, A. Kerstens, T. Estrada, D.A. Flores, and P.J. Teller.

RNAVLab: A unified environment for computational RNA structure analysis based on grid computing technology

Sixth IEEE International Workshop on High Performance Computational Biology (HiCOMB'07), in conjunction with IPDPS'07 March 2007, Long Beach, California, USA.M. Taufer, M.-Y. Leung, K. L. Johnson, A. Licon.

Moving Volunteer Computing towards Knowledge-Constructed, Dynamically-Adaptive Modeling and Scheduling

In Proceedings of the First Workshop on Large-Scale, Volatile Desktop Grids (PCGrid'07), in conjunction with IPDPS'07 March 2007, Long Beach, California, USA.M. Taufer, A. Kerstens, T. Estrada, D.A. Flores, R. Zamudio, P.J. Teller, R. Armen, and C.L. Brooks III.

Topaz: Extending Firefox to Accommodate the GridFTP Protocol

In Proceedings of the Fourth High-Performance Grid Computing Workshop (HPGC'07), in conjunction with IPDPS'07 March 2007, Long Beach, California, USA.R. Zamudio, D. Catarino, M. Taufer, K. Bhatia, and B. Stearn.
2006

The Effectiveness of Threshold-based Scheduling Policies in BOINC Projects

In Proceedings of the 2st IEEE International Conference on e-Science and Grid Technologies (eScience 2006). December 2006, Amsterdam, The Netherlands.T. Estrada, D. Flores, M. Taufer, P. Teller, A. Kerstens, and D. Anderson.

CompPknots: a Framework for Parallel Prediction and Comparison of RNA Secondary Structures with Pseudoknots

In Proceedings of 1st Frontier on High Performance Computing and Networking Workshop (FHPCN-06), in conjunction with ISPA 2006, December 2006, Sorrento, Italy.T. Estrada, A. Licon, and M. Taufer.

Extending Grid Protocols onto the Desktop using the Mozilla Framework

In Proceedings of the 2nd International Workshop on Grid Computing Environments (GCE 2006), in conjunction with SC 2006, November 2006, Tampa, Florida.K. Bhatia, B. Stearn, M. Taufer, R. Zamudio, and D. Catarino.

A Systematic Multi-step Methodology for Performance Analysis of Communication Traces of Distributed Applications based on Hierarchical Clustering

In Proceedings of 5th International Workshop on Performance Modeling, Evaluation, and Optimization of Parallel and Distributed Systems (PMEO-PDS 2006), in conjunction with IPDPS 2006, April 2006, Rhodes Island, Greece.G. Aguilera, P.J. Teller, M. Taufer, and F. Wolf.
2005

Metrics for Effective Resource Management in Global Computing Environments

In Proceedings of the 1st IEEE International Conference on e-Science and Grid Technologies (eScience 2005). December 2005, Melbourne, Australia.M. Taufer, P.J. Teller, D.P. Anderson, and C.L. Brooks III.

Predictor@Home: A "Protein Prediction Supercomputer" Based on Public-Resource Computing

In Proceedings Fourth IEEE International Workshop on High Performance Computational Biology 2005), in conjunction with IPDPS 2005, April 2005, Denver, Colorado.M. Taufer, C. An, A. Kerstens, and C.L. Brooks III.

Homogeneous Technique to Ensure Integrity of Molecular Simulation Results Using Public Resources

In Proceedings of the 14th Heterogeneous Computing Workshop (HCW 2005), with IPDPS 2005, April 2005, Denver, Colorado.M. Taufer, D.P. Anderson, P. Cicotti, and C.L. Brooks III.
2004

Study of an Fast Protein-Ligand Docking Algorithm based on Molecular Dynamics

In the Third IEEE International Workshop on High Performance Computational Biology 2004), in conjunction with IPDPS 2004, April 2004, Santa Fe, New Mexico.M. Taufer, M. Crowley, D. Price, A.A. Chien, and C.L. Brooks III.

Characterizing and Evaluating Desktop Grids: An Empirical Study

In Proceedings of the IEEE/ACM International Parallel and Distributed Processing Symposium (IPDPS'04), April 2004, Santa Fe, New Mexico, USA.D. Kondo, M. Taufer, C.L. Brooks III, H. Casanova, and A.A. Chien.

DGMonitor: a Performance Monitoring Tool for Sandbox-based Desktop Grid Platforms

In Proceedings of the Third International Workshop on Performance Modeling, Evaluation, and Optimization of Parallel and Distributed Systems (PMEO-PDS'04), in conjunction with IPDPS'04, April 2004, Santa Fe, New Mexico, USA.P. Cicotti, M. Taufer, and A.A. Chien.
2003

A Performance Monitor based on Virtual Global Time for Clusters of PCs

In Proceedings of the IEEE International Conference on Cluster Computing 2003 (Cluster'03), December 2003, Hong Kong, China.M. Taufer, and T. Stricker.

Combining Task- and Data Parallelism to Speed up Protein Folding on a Desktop Grid Platform Is efficient protein folding possible with CHARMM on the United Devices MetaProcessor?

In Proceedings the IEEE International Symposium on Cluster Computing and the Grid (CCGRID'03), May 2003, Tokyo, Japan.B. Uk, M. Taufer, T. Stricker, G. Settanni, A. Cavalli, and A. Caflisch.

Implementation and Characterization of Protein Folding on a Desktop Computational Grid Is CHARMM a suitable candidate for the United Devices MetaProcessor

In Proceedings of the IEEE/ACM International Parallel and Distributed Processing Symposium (IPDPS'03), April 2003, Nice, France.B. Uk, M. Taufer, T. Stricker, G. Settanni, and A. Cavalli.
2002

Scalability and Resource Usage of an OLAP Benchmark on Clusters of PCs

In Proceedings of the Fourteenth ACM Symposium on Parallel Algorithms and Architectures (SPAA'02), August 2002, Winnipeg, Manitoba, Canada. M. Taufer, T. Stricker, and R. Weber.

On the Migration of the Scientific Code DYANA from SMPs to Clusters of PCs and on to the Grid

In Proceedings of the IEEE International Symposium on Cluster Computing and the Grid (CCGRID'02), May 2002, Berlin, Germany.M. Taufer, T. Stricker, G. Roos, P. Guentert.

Performance Characterization of a Molecular Dynamics Code on PC Clusters - Is there any easy parallelism in CHARMM?

In Proceedings of the IEEE/ACM International Parallel and Distributed Processing Symposium (IPDPS'02), April 2002, Fort Lauderdale, Florida, USA. M. Taufer, E. Perathoner, A. Cavalli, A. Caflisch, and T. Stricker.
1998

Accurate Performance Evaluation, Modeling and Prediction of a Message Passing Simulation Code based on Middleware

In Proceedings of the ACM/IEEE International Conference for High Performance Computing and Communications conference (SC'98), November 1998, Orlando, Florida, USA. M. Taufer, and T. Stricker.
1996

Molecular Dynamics Simulations on Cray Clusters using the Sciddle-PVM Environment

Lecture Notes in Computer Science 1156 A. Bode, J. Dongarra, T. Ludwig, V. Sunderam (Eds.) Presented at the Parallel Virtual Machine - EuroPVM 96, Third European PVM Conference, October 1996, Munich, Germany.P. Arbenz, M. Billeter, P. Guentert, P. Luginbuehl, M. Taufer, and U. von Matt.

Educational Papers (Top)

2006

Collaborative Research Tools for Students, Staff, and Faculty

In Proceedings of the International SUN Conference on Teaching and Learning, March 2006, El Paso, Texas.M. Taufer, P.J. Teller, A. Kerstens, R. Romero.

Posters (Top)

 
 
2018

Modeling Record-and-Replay for Nondeterministic Applications on Exascale Systems

Poster in ModSim 2018: Workshop on Modeling & simulation ofSystems and Applications. Seattle, WA, USA. August 15-17, 2018. D. Chapp, D. Rorabaugh, and M. Taufer.

Large-Scale SoilMoisture Modeling Based on Linear Geostatistics and Remotely Sensed Data

Poster in AGU 100 –Advanced Earth and Space Science – Fall Meeting. Washington DC. December 10-14, 2018. R. M Llamas, M. Guevara, D. Rorabaugh, M. Taufer, and Rodrigo Vargas.

Creating a Portable, High-Level Graph Analytics Paradigm For Compute and Data-Intensive Applications

Poster in 2018 GPU Technology Conference (GTC). San Jose, CA, USA. March 26-28, 2018. R. Searles, S. Herbein, T. Johnston, M. Taufer and S. Chandrasekaran.
2017

Data Analytics for Modeling Soil Moisture Patterns across United States Ecoclimatic Domains

Poster in Proceedings of the 2017 IEEE International Conference on BigData. pp 1-3. Boston, MA, USA. December 2017. Thomas Kitson, Paula Olaya, Elizabeth Racca, Michael R. Wyatt II, Mario Guevara, Rodrigo Vargas, and M. Taufer.

Fully Hierarchical Scheduling: Paving the Way to Exascale Workloads

Poster in 29th ACM/IEEE International Conference for High Performance Computing and Communications conference(SC), Denver, CO, USA. November 2017. (Best Poster Candidate) S. Herbein, T. Patki, D. H. Ahn, D. Lipari, T. Dahlgren, D. Domyancic, and M. Taufer.
2015

Network Quality of Service in Docker Containers

Poster in Proceedings of the IEEE Cluster 2015 Conference. Chicago, Illinois, USA. September 2015. Ayush Dusia, Yang Yang, and M. Taufer.

A Two-Tiered Approach to I/O Quality of Service in Linux

Poster in Proceedings of the IEEE Cluster 2015 Conference. Chicago, Illinois, USA. September 2015. Sean McDaniel, Stephen Herbein, and M. Taufer.

Resource Management Layers for Dynamic CPU Resource Allocation in Containerized Cloud Environments

Poster in Proceedings of the IEEE Cluster 2015 Conference. Chicago, Illinois, USA. September 2015. Jose Manuel Monsalve Diaz, Aaron Landwehr, and M. Taufer.
2013

Predictions of Large-scale QMCPack I/Os on Titan using Skel

Poster in Proceedings of the ACM/IEEE International Conference for High Performance Computing and Communications conference (SC). Denver, Colorado, USA. November 2013. S. Herbein, M. Matheny(+), M. Wezowicz, J. Kroger, J.S. Logan, J. Kim, S. Klasky, and M. Taufer.
2012

On the Cost of a General GPU Framework - The Strange Caseof CUDA 4.0 vs. CUDA 5.0

Poster in Proceedings of the ACM/IEEE International Conference for High Performance Computing and Communications conference (SC). Salt Lake City, Utah, USA. November 2012. M. Wezowicz(+) and M. Taufer.

Secondary Structure Predictions for Long RNA Sequences Based on Inversion Excursions

Poster in Proceedings of the ACM Conference on Bioinformatics, Computational Biology and Biomedicine (ACM-BCB), Orlando, FL, October 7-10, 2012. D.T. Yehdego, V. K. R. Kodimala, S. Viswakula, B. Zhang, R. Vegesna, K. L. Johnson, M. Taufer and M.-Y. Leung.

Benchmarking Gender Differences in Voluntary Computer Projects

Poster in Proceedings of the 2012 Grace Hopper Celebration of Women in Computing (GHC12), October 2012, Baltimore, Maryland, USA. T. Estrada, K. Pusecker, M. Torres, J. Cohoon, and M. Taufer.
2011

Study of Protein-ligand Binding Geometries using a Scalable and Accurate Octree-based Algorithm in MapReduce

Poster in Proceedings of the ACM/IEEE International Conference for High Performance Computing and Communications conference (SC), November 2011, Seattle, Washington, USA.T. Estrada, B. Zhang, R.S. Armen, and M. Taufer.
2010

Simulations of Large Membrane Regions using GPU-enabled Computations - Preliminary Results

2010 Symposium on Application Accelerators in High Performance Computing (SAAHPC10). July 13-15, 2010. University of Tennessee Conference Center, Knoxville, Tennessee, USA. Narayan Ganesan, Sandeep Patel, and Michela Taufer.
2009

Parallelization of Tau-Leaping Coarse-Grained Monte Carlo Method for Efficient and Accurate Simulations on GPUs

Poster in Proceedings of the ACM/IEEE International Conference for High Performance Computing and Communications conference (SC’09), November 2009, Portland, Washington, USA. Lifan Xu, S. Collins, M. Taufer, and D.G. Vlachos.

Improving Reproducibility and Stability of Numerically Intensive Applications on Graphics Processing Units

Poster at the NVIDIA Research Summit,Sep 30- Oct 2, 2009, San Jose, CA.M. Taufer, P. Saponaro, and O. Padron.

Docking@Home: Searching for New Drugs using Volunteer’s Computers

In Proceedings of The Grace Hopper Celebration of Women in Computing 2009, September 30 – October 3, 2009, Tucson, AZ.T. Estrada, M. Taufer.

Role of RNA secondary structure in replication of Nodamura virus RNA2

Poster at the American Society for Virology, Twenty-seventh Annual Meeting, 2009, Cornell University, Ithaca, NY.K.S. Hogle, J.H. Upton, A. Licon, M.-Y. Leung, and K.L. Johnson.
2007

Performance Analysis of Volunteer Computing Traces

In Proceedings of the ACM/IEEE International Conference for High Performance Computing, Network, torage, and Analysis conference (SC07), November 2007, Reno, Nevada, USA. T. Estrada, M. Taufer, and K. Reed.
2006

SimBA: a Discrete Event Simulator for Performance Prediction of Volunteer Computing Projects

In In Proceedings of the ACM/IEEE International Conference for High Performance Computing, Network, Storage, and Analysis conference (SC06), November 2006, Tampa, Florida.D. Flores, T. Estrada, M. Taufer, P. Teller, and A. Kerstens.
2005

Predictor@home: A Multiscale, Distributed Approach for Protein Structure Prediction

Poster presented at the 229th ACM National Meeting, March 2005, San Diego, California, USA.C. An, M. Taufer, and C.L. Brooks III.
2004

Predictor@home: A Multiscale, Distributed Approach for Protein Structure Prediction

Poster presented at the 6th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP6), December 2004, Gaeta, Italy.C. An, M. Taufer, and C.L. Brooks III.

Technical Reports (Top)

2009

Parallelization of Tau-Leap Coarse-Grained Monte Carlo Simulations on GPUs

Technical Report No. 2009/338, Dept. of Computer and Information Sciences, University of Delaware, Newark, DE (November 2009).Lifan Xu, Michela Taufer, Stuart Collins, and Dionisios G. Vlachos.

Improving Numerical Reproducibility and Stability in Large-Scale Numerical Simulations on GPUs

Technical Report No. 2009/339, Dept. of Computer and Information Sciences, University of Delaware, Newark, DE (November 2009).Michela Taufer, Omar Padron, Philip Saponaro, Sandeep Patel.
2006

Topaz: a Firefox Protocol Extension for GridFTP based on Data Flow Diagrams

Technical Report UTEP-CS-06-18, University of Texas, El Paso, April 2006.R. Zamudio, D. Catarino, M. Taufer, B. Stearn, and K. Bhatia.
2003

Characterizing and Evaluating Desktop Grids: An Empirical Study

Technical Report CS2003-069. University of California, San Diego, November 2003, La Jolla, California. D. Kondo, M. Taufer, J. Karanicolas, C. L. Brooks III, H. Casanova, and A. Chien.

a Performance Monitoring Tool for Sandbox-based Desktop Grid Platforms

Technical Report CS2003-070, University of California, San Diego, November 2003, La Jolla, California.P. Cicotti, M. Taufer, and A. Chien: DGMonitor.
2002

Combining Task- and Data Parallelism to Speed up Protein Folding on a Desktop Grid Platform - Is efficient protein folding possible with CHARMM on the United Devices MetaProcessor

Technical Report 386, Department of Computer Science, Swiss Federal Institute of Technology Zurich (ETHZ), November 2002, Zurich, Switzerland. B. Uk, M. Taufer, T. Stricker, G. Settanni, A. Cavalli, and A. Caflisch.

Implementation and Characterization of Protein Folding on a Desktop Computational Grid – Is CHARMM a suitable candidate for the United Devices MetaProcessor

Technical Report 385, Department of Computer Science, Swiss Federal Institute of Technology Zurich (ETHZ), October 2002, Zurich, Switzerland.B. Uk, M. Taufer, T. Stricker, G. Settanni, and A. Cavalli.

Inverting Middleware Framework: Framework for Performance Analysis of Distributed OLAP Benchmarks on Clusters of PCs by Filtering and Abstracting Low Level Resource Usage

Technical Report 367, Department of Computer Science, Swiss Federal Institute of Technology Zurich (ETHZ), March 2002, Zurich, Switzerland.M. Taufer, T. Stricker, and R. Weber.
1998

Performance Characterization and Modeling of the Molecular Simulation Code OPAL

Technical Report 310, Department of Computer Science, Swiss Federal Institute of Technology Zurich (ETHZ), November 1998, Zurich, Switzerland.P. Arbenz, T. Stricker, M. Taufer, and U. von Matt.

Thesis (Top)

2002

Inverting Middleware: Performance Analysis of Layered Application Codes in High Performance Distributed Computing

Dissertation ETH No. 14845, Institute for Computer Systems, Swiss Federal Institute of Technology Zurich (ETHZ), December 2002, Zurich, Switzerland. Published by Hartung Gorre Verlag Konstanz, Germany, ISBN 3-89649-821-5 ISSN 1611-0943.M. Taufer.
1996

Development of the Parallelization of the Software Package OPAL for the Simulation of Dynamic Molecules on Supercomputers

Master Thesis, Department of Computer Science, University of Padova, December 1996, Padova, Italy.M. Taufer.