| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 532 | 2020 |
| A code generator for high-performance tensor contractions on GPUs J Kim, A Sukumaran-Rajam, V Thumma, S Krishnamoorthy, A Panyala, ... 2019 IEEE/ACM International Symposium on Code Generation and Optimization …, 2019 | 54 | 2019 |
| From NWChem to NWChemEx: Evolving with the computational chemistry landscape K Kowalski, R Bair, NP Bauman, JS Boschen, EJ Bylaska, J Daily, ... Chemical reviews 121 (8), 4962-4998, 2021 | 52 | 2021 |
| Algorithms for balanced graph colorings with applications in parallel computing H Lu, M Halappanavar, D Chavarria-Miranda, AH Gebremedhin, ... IEEE Transactions on Parallel and Distributed Systems 28 (5), 1240-1256, 2016 | 27 | 2016 |
| Optimizing tensor contractions in ccsd (t) for efficient execution on gpus J Kim, A Sukumaran-Rajam, C Hong, A Panyala, RK Srivastava, ... Proceedings of the 2018 International Conference on Supercomputing, 96-106, 2018 | 22 | 2018 |
| Approximate computing techniques for iterative graph algorithms A Panyala, O Subasi, M Halappanavar, A Kalyanaraman, ... 2017 IEEE 24th International Conference on High Performance Computing (HiPC …, 2017 | 14 | 2017 |
| High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation JP Unsleber, H Liu, L Talirz, T Weymuth, M Mörchen, A Grofe, D Wecker, ... The Journal of Chemical Physics 158 (8), 2023 | 12 | 2023 |
| TTLG-an efficient tensor transposition library for GPUs J Vedurada, A Suresh, AS Rajam, J Kim, C Hong, A Panyala, ... 2018 IEEE International Parallel and Distributed Processing Symposium (IPDPS …, 2018 | 12 | 2018 |
| MerCat: A versatile k-mer counter and diversity estimator for database-independent property analysis obtained from metagenomic and/or metatranscriptomic sequencing data RA White III, A Panyala, K Glass, S Colby, KR Glaesemann, C Jansson, ... PeerJ Preprints 5, e2825v1, 2017 | 12 | 2017 |
| GFCCLib: Scalable and efficient coupled-cluster Green's function library for accurately tackling many-body electronic structure problems B Peng, A Panyala, K Kowalski, S Krishnamoorthy Computer Physics Communications 265, 108000, 2021 | 11 | 2021 |
| On the use of term rewriting for performance optimization of legacy HPC applications A Panyala, D Chavarría-Miranda, S Krishnamoorthy 2012 41st International Conference on Parallel Processing, 399-409, 2012 | 11 | 2012 |
| Exploring performance and energy tradeoffs for irregular applications: A case study on the Tilera many-core architecture A Panyala, D Chavarria-Miranda, JB Manzano, A Tumeo, ... Journal of Parallel and Distributed Computing 104, 234-251, 2017 | 8 | 2017 |
| TAMM: Tensor algebra for many-body methods E Mutlu, A Panyala, N Gawande, A Bagusetty, J Glabe, J Kim, K Kowalski, ... The Journal of Chemical Physics 159 (2), 2023 | 6 | 2023 |
| Real-time equation-of-motion CC cumulant and CC Green’s function simulations of photoemission spectra of water and water dimer FD Vila, JJ Rehr, H Pathak, B Peng, A Panyala, E Mutlu, NP Bauman, ... The Journal of Chemical Physics 157 (4), 2022 | 6 | 2022 |
| Scalable heterogeneous execution of a coupled-cluster model with perturbative triples J Kim, A Panyala, B Peng, K Kowalski, P Sadayappan, S Krishnamoorthy SC20: International Conference for High Performance Computing, Networking …, 2020 | 6 | 2020 |
| Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments B Peng, K Kowalski, A Panyala, S Krishnamoorthy The Journal of Chemical Physics 152 (1), 2020 | 6 | 2020 |
| Global transformations for legacy parallel applications via structural analysis and rewriting D Chavarría-Miranda, A Panyala, W Ma, A Prantl, S Krishnamoorthy Parallel Computing 43, 1-26, 2015 | 5 | 2015 |
| NWChem: Recent and Ongoing Developments D Mejia-Rodriguez, E Aprà, J Autschbach, NP Bauman, EJ Bylaska, ... Journal of Chemical Theory and Computation 19 (20), 7077-7096, 2023 | 4 | 2023 |
| Real-time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-body Methods … H Pathak, A Panyala, B Peng, NP Bauman, E Mutlu, JJ Rehr, FD Vila, ... Journal of Chemical Theory and Computation 19 (8), 2248-2257, 2023 | 4 | 2023 |
| Towards cross-platform portability of coupled-cluster methods with perturbative triples using sycl A Bagusetty, A Panyala, G Brown, J Kirk 2022 IEEE/ACM International Workshop on Performance, Portability and …, 2022 | 4 | 2022 |
Sriram KrishnamoorthyGoogleVerified email at google.com
