| AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ... The International Journal of High Performance Computing Applications 35 (5 …, 2021 | 177 | 2021 |
| SAGA: A Simple API for Grid Applications. High-level application programming on the Grid G Tom, J Shantenu, K Hartmut, K Thilo, K Pascal, M Andre, S John CMST 12 (1), 7-20, 2006 | 158 | 2006 |
| Computing clinically relevant binding free energies of HIV-1 protease inhibitors DW Wright, BA Hall, OA Kenway, S Jha, PV Coveney Journal of chemical theory and computation 10 (3), 1228-1241, 2014 | 149 | 2014 |
| Using clouds to provide grids with higher levels of abstraction and explicit support for usage modes S Jha, A Merzky, G Fox Concurrency and computation: Practice and Experience 21 (8), 1087-1108, 2009 | 148 | 2009 |
| 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 | 113 | 2021 |
| A tale of two data-intensive paradigms: Applications, abstractions, and architectures S Jha, J Qiu, A Luckow, P Mantha, GC Fox 2014 IEEE International Congress on Big Data, 645-652, 2014 | 113 | 2014 |
| A comprehensive perspective on pilot-job systems M Turilli, M Santcroos, S Jha ACM Computing Surveys (CSUR) 51 (2), 1-32, 2018 | 111 | 2018 |
| Saga bigjob: An extensible and interoperable pilot-job abstraction for distributed applications and systems A Luckow, L Lacinski, S Jha 2010 10th IEEE/ACM International Conference on Cluster, Cloud and Grid …, 2010 | 111 | 2010 |
| Computational steering in RealityGrid JM Brooke, PV Coveney, JDR Harting, S Jha, SM Pickles, RL Pinning, ... Proceedings of the UK e-Science All Hands Meeting 2003, 2-4 September …, 2003 | 103 | 2003 |
| Using pilot systems to execute many task workloads on supercomputers A Merzky, M Turilli, M Maldonado, M Santcroos, S Jha Job Scheduling Strategies for Parallel Processing: 22nd International …, 2019 | 98* | 2019 |
| Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science A Krylov, TL Windus, T Barnes, E Marin-Rimoldi, JA Nash, B Pritchard, ... The Journal of chemical physics 149 (18), 2018 | 95 | 2018 |
| Deepdrivemd: Deep-learning driven adaptive molecular simulations for protein folding H Lee, M Turilli, S Jha, D Bhowmik, H Ma, A Ramanathan 2019 IEEE/ACM Third Workshop on Deep Learning on Supercomputers (DLS), 12-19, 2019 | 84 | 2019 |
| Exploring the performance fluctuations of hpc workloads on clouds Y El-Khamra, H Kim, S Jha, M Parashar 2010 IEEE Second International Conference on Cloud Computing Technology and …, 2010 | 84 | 2010 |
| Autonomic management of application workflows on hybrid computing infrastructure H Kim, Y El-Khamra, I Rodero, S Jha, M Parashar Scientific Programming 19 (2-3), 75-89, 2011 | 82 | 2011 |
| # COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ... The international journal of high performance computing applications 37 (1 …, 2023 | 80 | 2023 |
| Big data, simulations and HPC convergence G Fox, J Qiu, S Jha, S Ekanayake, S Kamburugamuve Big Data Benchmarking: 6th International Workshop, WBDB 2015, Toronto, ON …, 2016 | 79 | 2016 |
| 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 | 79 | 2012 |
| Steering in computational science: mesoscale modelling and simulation J Chin, J Harting, S Jha, PV Coveney, AR Porter, SM Pickles Contemporary Physics 44 (5), 417-434, 2003 | 79 | 2003 |
| A simple API for grid applications (SAGA) T Goodale, S Jha, H Kaiser, T Kielmann, P Kleijer, A Merzky, J Shalf, ... Grid Forum Document GFD 90, 2008 | 69 | 2008 |
| Learning everywhere: Pervasive machine learning for effective high-performance computation G Fox, JA Glazier, JCS Kadupitiya, V Jadhao, M Kim, J Qiu, JP Sluka, ... 2019 IEEE International Parallel and Distributed Processing Symposium …, 2019 | 65 | 2019 |
Andre MerzkyRutgers UniversityVerified email at merzky.net
