Mathialakan Thavappiragasam

According to our database, Mathialakan Thavappiragasam authored at least 14 papers between 2014 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

CPU-GPU Tuning for Modern Scientific Applications using Node-Level Heterogeneity.

Mathialakan Thavappiragasam, Vivek Kale

Proceedings of the 30th IEEE International Conference on High Performance Computing, 2023

2022

OpenMDlr: parallel, open-source tools for general protein structure modeling and refinement from pairwise distances.

Russell B. Davidson, Jess Woods, T. Chad Effler, Mathialakan Thavappiragasam, Julie C. Mitchell, Jerry M. Parks, Ada Sedova

Bioinform., 2022

OpenMP's Asynchronous Offloading for All-pairs Shortest Path Graph Algorithms on GPUs.

Mathialakan Thavappiragasam, Vivek Kale

Proceedings of the 2022 IEEE/ACM International Workshop on Hierarchical Parallelism for Exascale Computing (HiPar), 2022

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

Mathialakan Thavappiragasam, Wael R. Elwasif, Ada Sedova

Proceedings of the 22nd IEEE International Symposium on Cluster, 2022

2021

Parallel Algorithms for Successive Convolution.

Andrew J. Christlieb, Pierson T. Guthrey, William A. Sands, Mathialakan Thavappiragasam

J. Sci. Comput., 2021

High-throughput virtual laboratory for drug discovery using massive datasets.

Jens Glaser, Josh Vincent Vermaas, David M. Rogers, Jeff Larkin, Scott LeGrand, Swen Boehm, Matthew B. Baker, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Ada Sedova, Oscar R. Hernandez

Int. J. High Perform. Comput. Appl., 2021

Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs.

Mathialakan Thavappiragasam, Vivek Kale, Oscar R. Hernandez, Ada Sedova

Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement.

Russell B. Davidson, Mathialakan Thavappiragasam, T. Chad Effler, Jess Woods, Dwayne A. Elias, Jerry M. Parks, Ada Sedova

Proceedings of the BCB '21: 12th ACM International Conference on Bioinformatics, 2021

2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.

Atanu Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, Kendall G. Byler, Sam Yen-Chi Chen, Leighton Coates, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar R. Hernandez, Stephan Irle, Daniel W. Kneller, Andrey Kovalevsky, Jeffrey M. Larkin, Travis J. Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Yue Shen, Jeremy C. Smith, Micholas Dean Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh Vincent Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti Polzi

J. Chem. Inf. Model., 2020

Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms.

Mathialakan Thavappiragasam, Aaron Scheinberg, Wael R. Elwasif, Oscar R. Hernandez, Ada Sedova

Proceedings of the IEEE/ACM International Workshop on Performance, 2020

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research.

Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh Vincent Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, Oscar R. Hernandez, Jeremy C. Smith, Ada Sedova

Proceedings of the BCB '20: 11th ACM International Conference on Bioinformatics, 2020

2015

SBMLDock: Docker Driven Systems Biology Tool Development and Usage.

Etienne Z. Gnimpieba, Mathialakan Thavappiragasam, Abalo Chango, Bill Conn, Carol M. Lushbough

Proceedings of the Computational Methods in Systems Biology, 2015

2014

Automatic biosystems comparison using semantic and name similarity.

Mathialakan Thavappiragasam, Carol M. Lushbough, Etienne Z. Gnimpieba

Proceedings of the 5th ACM Conference on Bioinformatics, 2014

Heuristic parallelizable algorithm for similarity based biosystems comparison.

Mathialakan Thavappiragasam, Carol M. Lushbough, Etienne Z. Gnimpieba

Proceedings of the 5th ACM Conference on Bioinformatics, 2014