| Scalable molecular dynamics with NAMD JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, ... Journal of computational chemistry 26 (16), 1781-1802, 2005 | 18692 | 2005 |
| NAMD2: greater scalability for parallel molecular dynamics L Kalé, R Skeel, M Bhandarkar, R Brunner, A Gursoy, N Krawetz, ... Journal of Computational Physics 151 (1), 283-312, 1999 | 2984 | 1999 |
| Scalable molecular dynamics on CPU and GPU architectures with NAMD JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ... The Journal of chemical physics 153 (4), 2020 | 1943 | 2020 |
| Charm++ a portable concurrent object oriented system based on c++ LV Kale, S Krishnan Proceedings of the eighth annual conference on Object-oriented programming …, 1993 | 1485 | 1993 |
| NAMD: a parallel, object-oriented molecular dynamics program MT Nelson, W Humphrey, A Gursoy, A Dalke, LV Kalé, RD Skeel, ... The International Journal of Supercomputer Applications and High Performance …, 1996 | 788 | 1996 |
| Toward exascale resilience F Cappello, A Geist, B Gropp, L Kale, B Kramer, M Snir The International Journal of High Performance Computing Applications 23 (4 …, 2009 | 481 | 2009 |
| Adaptive mpi C Huang, O Lawlor, LV Kale Languages and Compilers for Parallel Computing: 16th International Workshop …, 2004 | 385 | 2004 |
| BScalable molecular dynamics with NAMD,[J JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, ... Comp. Chem 26, 1781-1802, 2005 | 377 | 2005 |
| NAMD: Biomolecular simulation on thousands of processors JC Phillips, G Zheng, S Kumar, LV Kalé SC'02: Proceedings of the 2002 ACM/IEEE Conference on Supercomputing, 36-36, 2002 | 366 | 2002 |
| Bigsim: A parallel simulator for performance prediction of extremely large parallel machines G Zheng, G Kakulapati, LV Kalé 18th International Parallel and Distributed Processing Symposium, 2004 …, 2004 | 335 | 2004 |
| Charm++: Parallel programming with message-driven objects LV Kale, S Krishnan Parallel programming using C+ 1, 175-213, 1996 | 334 | 1996 |
| FTC-Charm++: an in-memory checkpoint-based fault tolerant runtime for Charm++ and MPI G Zheng, L Shi, LV Kalé 2004 ieee international conference on cluster computing (ieee cat. no …, 2004 | 290 | 2004 |
| Algorithmic challenges in computational molecular biophysics T Schlick, RD Skeel, AT Brunger, LV Kalé, JA Board Jr, J Hermans, ... Journal of Computational Physics 151 (1), 9-48, 1999 | 260 | 1999 |
| Parallel programming with migratable objects: Charm++ in practice B Acun, A Gupta, N Jain, A Langer, H Menon, E Mikida, X Ni, M Robson, ... SC'14: Proceedings of the International Conference for High Performance …, 2014 | 238 | 2014 |
| Maximizing throughput of overprovisioned hpc data centers under a strict power budget O Sarood, A Langer, A Gupta, L Kale SC'14: Proceedings of the International Conference for High Performance …, 2014 | 192 | 2014 |
| Topology-aware task mapping for reducing communication contention on large parallel machines T Agarwal, A Sharma, A Laxmikant, LV Kalé Proceedings 20th IEEE International Parallel & Distributed Processing …, 2006 | 191 | 2006 |
| Performance evaluation of adaptive MPI C Huang, G Zheng, L Kalé, S Kumar Proceedings of the eleventh ACM SIGPLAN symposium on Principles and practice …, 2006 | 180 | 2006 |
| Adaptive techniques for clustered N-body cosmological simulations H Menon, L Wesolowski, G Zheng, P Jetley, L Kale, T Quinn, F Governato Computational Astrophysics and Cosmology 2, 1-16, 2015 | 176 | 2015 |
| The Chare Kernel Parallel Programming Language and System. LV Kale ICPP (2), 17-25, 1990 | 173 | 1990 |
| A scalable double in-memory checkpoint and restart scheme towards exascale G Zheng, X Ni, LV Kalé IEEE/IFIP International Conference on Dependable Systems and Networks …, 2012 | 163 | 2012 |
