| 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 | 216 | 2021 |
| 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 | 166 | 2014 |
| SAGA: A Simple API for Grid Applications. High-level application programming on the Grid G Tom, J Shantenu, K Hartmut, K Thilo, K Pascal, VL Gregor, M Andre, ... CMST 12 (1), 7-20, 2006 | 157 | 2006 |
| 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 | 130 | 2021 |
| Quantum-centric supercomputing for materials science: A perspective on challenges and future directions Y Alexeev, M Amsler, MA Barroca, S Bassini, T Battelle, D Camps, ... Future Generation Computer Systems 160, 666-710, 2024 | 122 | 2024 |
| A comprehensive perspective on pilot-job systems M Turilli, M Santcroos, S Jha ACM Computing Surveys (CSUR) 51 (2), 1-32, 2018 | 122* | 2018 |
| 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 | 116 | 2014 |
| 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 | 110 | 2010 |
| # 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 | 107 | 2023 |
| 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 | 102 | 2003 |
| 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 | 99 | 2018 |
| 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 | 98* | 2018 |
| FAIR for AI: An interdisciplinary and international community building perspective EA Huerta, B Blaiszik, LC Brinson, KE Bouchard, D Diaz, C Doglioni, ... Scientific data 10 (1), 487, 2023 | 93 | 2023 |
| 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 |
| 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 | 84 | 2011 |
| 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 | 83 | 2010 |
| Big data, simulations and HPC convergence G Fox, J Qiu, S Jha, S Ekanayake, S Kamburugamuve Workshop on Big Data Benchmarks, 3-17, 2015 | 82 | 2015 |
| 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 | 80 | 2003 |
| 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 |
Andre MerzkyRutgers UniversityVerified email at merzky.net
