Articles with public access mandates - Andre MerzkyLearn more
Available somewhere: 33
High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor
A Clyde, S Galanie, DW Kneller, H Ma, Y Babuji, B Blaiszik, A Brace, ...
Journal of chemical information and modeling 62 (1), 116-128, 2021
Mandates: US Department of Energy
P∗: a model of pilot-abstractions
A Luckow, M Santcroos, A Merzky, O Weidner, P Mantha, S Jha
2012 IEEE 8th International Conference on E-Science, 1-10, 2012
Mandates: US National Institutes of Health
Using pilot systems to execute many task workloads on supercomputers
A Merzky, M Turilli, M Maldonado, M Santcroos, S Jha
Workshop on Job Scheduling Strategies for Parallel Processing, 61-82, 2018
Mandates: US National Science Foundation, US Department of Energy
SAGA: A standardized access layer to heterogeneous distributed computing infrastructure
A Merzky, O Weidner, S Jha
SoftwareX 1, 3-8, 2015
Mandates: UK Engineering and Physical Sciences Research Council
Radical-pilot: Scalable execution of heterogeneous and dynamic workloads on supercomputers
A Merzky, M Santcroos, M Turilli, S Jha
CoRR, abs/1512.08194, 2015
Mandates: US Department of Energy
Understanding application-level interoperability: Scaling-out mapreduce over high-performance grids and clouds
S Sehgal, M Erdelyi, A Merzky, S Jha
Future Generation Computer Systems 27 (5), 590-599, 2011
Mandates: US National Institutes of Health, Hungarian Scientific Research Fund
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning-and physics-based simulations on high-performance computers
AP Bhati, S Wan, D Alfè, AR Clyde, M Bode, L Tan, M Titov, A Merzky, ...
Interface focus 11 (6), 20210018, 2021
Mandates: US Department of Energy, US National Institutes of Health, UK Medical …
Design and performance characterization of radical-pilot on leadership-class platforms
A Merzky, M Turilli, M Titov, A Al-Saadi, S Jha
IEEE Transactions on Parallel and Distributed Systems 33 (4), 818-829, 2021
Mandates: US National Science Foundation, US Department of Energy
Impeccable: Integrated modeling pipeline for covid cure by assessing better leads
AA Saadi, D Alfe, Y Babuji, A Bhati, B Blaiszik, A Brace, T Brettin, K Chard, ...
Proceedings of the 50th International Conference on Parallel Processing, 1-12, 2021
Mandates: US Department of Energy, US National Institutes of Health, UK Medical …
Application level interoperability between clouds and grids
A Merzky, K Stamou, S Jha
2009 Workshops at the Grid and Pervasive Computing Conference, 143-150, 2009
Mandates: US National Institutes of Health
Middleware building blocks for workflow systems
M Turilli, V Balasubramanian, A Merzky, I Paraskevakos, S Jha
Computing in Science & Engineering 21 (4), 62-75, 2019
Mandates: US National Science Foundation, US Department of Energy
Exaworks: Workflows for exascale
A Al-Saadi, DH Ahn, Y Babuji, K Chard, J Corbett, M Hategan, S Herbein, ...
2021 IEEE Workshop on Workflows in Support of Large-Scale Science (WORKS), 50-57, 2021
Mandates: US Department of Energy
Scalable HPC & AI infrastructure for COVID-19 therapeutics
H Lee, A Merzky, L Tan, M Titov, M Turilli, D Alfe, A Bhati, A Brace, ...
Proceedings of the Platform for Advanced Scientific Computing Conference, 1-13, 2021
Mandates: US Department of Energy, UK Medical Research Council, European Commission
The Framework for Assessing Changes To Sea-level (FACTS) v1. 0-rc: A platform for characterizing parametric and structural uncertainty in future global, relative, and extreme …
RE Kopp, GG Garner, THJ Hermans, S Jha, P Kumar, ABA Slangen, ...
EGUsphere 2023, 1-34, 2023
Mandates: US National Science Foundation, US National Aeronautics and Space …
Application skeletons: Construction and use in eScience
DS Katz, A Merzky, Z Zhang, S Jha
Future Generation Computer Systems 59, 114-124, 2016
Mandates: US National Science Foundation, US Department of Energy
Integrating abstractions to enhance the execution of distributed applications
M Turilli, F Liu, Z Zhang, A Merzky, M Wilde, J Weissman, DS Katz, S Jha
2016 IEEE International Parallel and Distributed Processing Symposium (IPDPS …, 2016
Mandates: US National Science Foundation, US Department of Energy
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
A Clyde, X Liu, T Brettin, H Yoo, A Partin, Y Babuji, B Blaiszik, ...
Scientific reports 13 (1), 2105, 2023
Mandates: US Department of Energy
Repex: A flexible framework for scalable replica exchange molecular dynamics simulations
A Treikalis, A Merzky, H Chen, TS Lee, DM York, S Jha
2016 45th International Conference on Parallel Processing (ICPP), 628-637, 2016
Mandates: US National Science Foundation
Characterizing the performance of executing many-tasks on summit
M Turilli, A Merzky, T Naughton, W Elwasif, S Jha
2019 IEEE/ACM Third Annual Workshop on Emerging Parallel and Distributed …, 2019
Mandates: US National Science Foundation, US Department of Energy
Radical-pilot and parsl: Executing heterogeneous workflows on HPC platforms
A Alsaadi, L Ward, A Merzky, K Chard, I Foster, S Jha, M Turilli
2022 IEEE/ACM Workshop on Workflows in Support of Large-Scale Science (WORKS …, 2022
Mandates: US National Science Foundation
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