| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 917 | 2021 |
| Evaluation of full valence correlation energies and gradients PM Zimmerman, AE Rask The Journal of Chemical Physics 150 (24), 2019 | 34 | 2019 |
| Mercury magnetic isotope effect: A plausible photochemical mechanism LC Motta, AD Chien, AE Rask, PM Zimmerman The Journal of Physical Chemistry A 124 (19), 3711-3719, 2020 | 18 | 2020 |
| Toward full configuration interaction for transition-metal complexes AE Rask, PM Zimmerman The Journal of Physical Chemistry A 125 (7), 1598-1609, 2021 | 16 | 2021 |
| Parallel implementation of the Density Matrix Renormalization Group method achieving a quarter petaFLOPS performance on a single DGX-H100 GPU node A Menczer, M van Damme, A Rask, L Huntington, J Hammond, ... Journal of Chemical Theory and Computation 20 (19), 8397-8404, 2024 | 9 | 2024 |
| The many-body electronic interactions of Fe (II)–porphyrin AE Rask, PM Zimmerman The Journal of Chemical Physics 156 (9), 2022 | 7 | 2022 |
| Kohn–Sham Density in a Slater Orbital Basis Set AE Rask, L Li, PM Zimmerman The Journal of Physical Chemistry A 128 (16), 3194-3204, 2024 | 1 | 2024 |
| Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs AE Rask, L Huntington, SY Kim, D Walker, A Wildman, R Wang, N Hazel, ... arXiv preprint arXiv:2307.10675, 2023 | 1 | 2023 |
| Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction JP Hatch, AE Rask, PM Zimmerman arXiv preprint arXiv:2410.13001, 2024 | | 2024 |
| The Many-Body Expansion of Electron Interactions for Transition Metal Complexes A Rask | | 2022 |
| Towards full configuration interaction for metal complexes A Rask, P Zimmerman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Paul ZimmermanUniversity of MichiganE-mail megerősítve itt: umich.edu