Publications
“Economical Quasi-Newton Unitary Optimization of Electronic Orbitals,”
Physical Chemistry Chemical Physics, December 2023, 2024.
“AI Benchmarking for Science: Efforts from the MLCommons Science Working Group,”
Lecture Notes in Computer Science, vol. 13387: Springer International Publishing, pp. 47 - 64, January 2023.
“AI Benchmarking for Science: Efforts from the MLCommons Science Working Group,”
Lecture Notes in Computer Science, vol. 13387: Springer International Publishing, pp. 47 - 64, January 2023.
“Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules,”
Journal of Chemical Theory and Computation, vol. 19, issue 20, pp. 7230 - 7241, October 2023.
“Revisiting I/O bandwidth-sharing strategies for HPC applications,”
INRIA Research Report, no. RR-9502: INRIA, March 2023.
“When to checkpoint at the end of a fixed-length reservation?,”
Fault Tolerance for HPC at eXtreme Scales (FTXS) Workshop, Denver, United States, August 2023.
“Checkpointing à la Young/Daly: An Overview,”
IC3-2022: Proceedings of the 2022 Fourteenth International Conference on Contemporary Computing, Noida, India, ACM Press, pp. 701-710, August 2022.
(639.77 KB)
(639.77 KB)
“Composition of Algorithmic Building Blocks in Template Task Graphs,”
2022 IEEE/ACM Parallel Applications Workshop: Alternatives To MPI+X (PAW-ATM), Dallas, TX, USA, IEEE, January 2023, 2022.
(1015.99 KB)
(1015.99 KB)
“Evaluations of molecular modeling and machine learning for predictive capabilities in binding of lanthanum and actinium with carboxylic acids,”
Journal of Radioanalytical and Nuclear Chemistry, December 2022.
“Generalized Flow-Graph Programming Using Template Task-Graphs: Initial Implementation and Assessment,”
2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS), Lyon, France, IEEE, July 2022.
“Pushing the Boundaries of Small Tasks: Scalable Low-Overhead Data-Flow Programming in TTG,”
2022 IEEE International Conference on Cluster Computing (CLUSTER), Heidelberg, Germany, IEEE, September 2022.
“Distributed-Memory Multi-GPU Block-Sparse Tensor Contraction for Electronic Structure,”
35th IEEE International Parallel & Distributed Processing Symposium (IPDPS 2021), Portland, OR, IEEE, May 2021.
“Evaluating Task Dropping Strategies for Overloaded Real-Time Systems (Work-In-Progress),”
42nd Real Time Systems Symposium (RTSS): IEEE Computer Society Press, 2021.
(217.13 KB)
(217.13 KB)
“An Introduction to High Performance Computing and Its Intersection with Advances in Modeling Rare Earth Elements and Actinides,”
Rare Earth Elements and Actinides: Progress in Computational Science Applications, vol. 1388, Washington, DC, American Chemical Society, pp. 3-53, October 2021.
ASCR@40: Four Decades of Department of Energy Leadership in Advanced Scientific Computing Research
: Advanced Scientific Computing Advisory Committee (ASCAC), US Department of Energy, August 2020.
ASCR@40: Highlights and Impacts of ASCR’s Programs
: US Department of Energy’s Office of Advanced Scientific Computing Research, June 2020.
“CEED ECP Milestone Report: Improve Performance and Capabilities of CEED-Enabled ECP Applications on Summit/Sierra,”
ECP Milestone Reports: Zenodo, May 2020.
(28.12 MB)
(28.12 MB)
“Energy-Aware Strategies for Reliability-Oriented Real-Time Task Allocation on Heterogeneous Platforms,”
49th International Conference on Parallel Processing (ICPP 2020), Edmonton, AB, Canada, ACM Press, 2020.
(804.96 KB)
(804.96 KB)
“Improved Energy-Aware Strategies for Periodic Real-Time Tasks under Reliability Constraints,”
40th IEEE Real-Time Systems Symposium (RTSS 2019), York, UK, IEEE Press, February 2020.
“The Template Task Graph (TTG) - An Emerging Practical Dataflow Programming Paradigm for Scientific Simulation at Extreme Scale,”
2020 IEEE/ACM 5th International Workshop on Extreme Scale Programming Models and Middleware (ESPM2): IEEE, November 2020.
(139.6 KB)
(139.6 KB)
“A Collection of Presentations from the BDEC2 Workshop in Kobe, Japan,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-19-09: University of Tennessee, Knoxville, February 2019.
(58.85 MB)
(58.85 MB)
“A Collection of White Papers from the BDEC2 Workshop in Poznan, Poland,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-19-10: University of Tennessee, Knoxville, May 2019.
(5.82 MB)
(5.82 MB)
“A Collection of White Papers from the BDEC2 Workshop in Poznan, Poland,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-19-10: University of Tennessee, Knoxville, May 2019.
(5.82 MB)
(5.82 MB)
“A Collection of White Papers from the BDEC2 Workshop in Poznan, Poland,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-19-10: University of Tennessee, Knoxville, May 2019.
(5.82 MB)
(5.82 MB)
“A Collection of White Papers from the BDEC2 Workshop in San Diego, CA,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-19-13: University of Tennessee, October 2019.
(8.25 MB)
(8.25 MB)
“A Collection of White Papers from the BDEC2 Workshop in San Diego, CA,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-19-13: University of Tennessee, October 2019.
(8.25 MB)
(8.25 MB)
“A Generic Approach to Scheduling and Checkpointing Workflows,”
Int. Journal of High Performance Computing Applications, vol. 33, no. 6, pp. 1255-1274, 2019.
(555.01 KB)
(555.01 KB)
“A Generic Approach to Scheduling and Checkpointing Workflows,”
International Journal of High Performance Computing Applications, vol. 33, issue 6, pp. 1255-1274, November 2019.
(555.01 KB)
(555.01 KB)
“Scheduling Independent Stochastic Tasks on Heterogeneous Cloud Platforms,”
IEEE Cluster 2019, Albuquerque, New Mexico, IEEE Computer Society Press, September 2019.
(651 KB)
(651 KB)
“Scheduling Independent Stochastic Tasks under Deadline and Budget Constraints,”
International Journal of High Performance Computing Applications, vol. 34, issue 2, pp. 246-264, June 2019.
(427.92 KB)
(427.92 KB)
“Autotuning in High-Performance Computing Applications,”
Proceedings of the IEEE, vol. 106, issue 11, pp. 2068–2083, November 2018.
(2.5 MB)
(2.5 MB)
“Bidiagonal SVD Computation via an Associated Tridiagonal Eigenproblem,”
LAPACK Working Note, no. LAWN 295, ICL-UT-18-02: University of Tennessee, April 2018.
(1.53 MB)
(1.53 MB)
“Big Data and Extreme-Scale Computing: Pathways to Convergence - Toward a Shaping Strategy for a Future Software and Data Ecosystem for Scientific Inquiry,”
The International Journal of High Performance Computing Applications, vol. 32, issue 4, pp. 435–479, July 2018.
(1.29 MB)
(1.29 MB)
“Big Data and Extreme-Scale Computing: Pathways to Convergence - Toward a Shaping Strategy for a Future Software and Data Ecosystem for Scientific Inquiry,”
The International Journal of High Performance Computing Applications, vol. 32, issue 4, pp. 435–479, July 2018.
(1.29 MB)
(1.29 MB)
“Checkpointing Workflows for Fail-Stop Errors,”
IEEE Transactions on Computers, vol. 67, issue 8, pp. 1105–1120, August 2018.
“A Collection of White Papers from the BDEC2 Workshop in Bloomington, IN,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-18-15: University of Tennessee, Knoxville, November 2018.
(9.26 MB)
(9.26 MB)
“Evaluating Contexts in OpenSHMEM-X Reference Implementation,”
OpenSHMEM and Related Technologies. Big Compute and Big Data Convergence, Cham, Springer International Publishing, pp. 50–62, 2018.
“Evaluating Contexts in OpenSHMEM-X Reference Implementation,”
OpenSHMEM and Related Technologies. Big Compute and Big Data Convergence, Cham, Springer International Publishing, pp. 50–62, 2018.
“A Generic Approach to Scheduling and Checkpointing Workflows,”
The 47th International Conference on Parallel Processing (ICPP 2018), Eugene, OR, IEEE Computer Society Press, August 2018.
(737.11 KB)
(737.11 KB)
“Initial Integration and Evaluation of SLATE Parallel BLAS in LATTE,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-18-07: Innovative Computing Laboratory, University of Tennessee, June 2018.
(366.6 KB)
(366.6 KB)
“Investigating Power Capping toward Energy-Efficient Scientific Applications,”
Concurrency Computation: Practice and Experience, vol. 2018, issue e4485, pp. 1-14, April 2018.
(1.2 MB)
(1.2 MB)
“A Survey of MPI Usage in the US Exascale Computing Project,”
Concurrency Computation: Practice and Experience, September 2018.
(359.54 KB)
(359.54 KB)
“A Survey of MPI Usage in the US Exascale Computing Project,”
Concurrency Computation: Practice and Experience, September 2018.
(359.54 KB)
(359.54 KB)
“Tensor Contraction on Distributed Hybrid Architectures using a Task-Based Runtime System,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-18-13: University of Tennessee, December 2018.
(326.11 KB)
(326.11 KB)
“Assuming failure independence: are we right to be wrong?,”
The 3rd International Workshop on Fault Tolerant Systems (FTS), Honolulu, Hawaii, IEEE, September 2017.
(597.11 KB)
(597.11 KB)
“Checkpointing Workflows for Fail-Stop Errors,”
IEEE Cluster, Honolulu, Hawaii, IEEE, September 2017.
(400.64 KB)
(400.64 KB)
“The Design and Performance of Batched BLAS on Modern High-Performance Computing Systems,”
International Conference on Computational Science (ICCS 2017), Zürich, Switzerland, Elsevier, June 2017.
(446.14 KB)
(446.14 KB)
“Efficient Communications in Training Large Scale Neural Networks,”
ACM MultiMedia Workshop 2017, Mountain View, CA, ACM, October 2017.
(1.41 MB)
(1.41 MB)
“POMPEI: Programming with OpenMP4 for Exascale Investigations,”
Innovative Computing Laboratory Technical Report, no. ICL-UT-17-09: University of Tennessee, December 2017.
(1.1 MB)
(1.1 MB)
“Power-aware Computing: Measurement, Control, and Performance Analysis for Intel Xeon Phi,”
2017 IEEE High Performance Extreme Computing Conference (HPEC'17), Best Paper Finalist, Waltham, MA, IEEE, September 2017.
(908.84 KB)
(908.84 KB)
