| MB-pol (2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid Phase X Zhu, M Riera, EF Bull-Vulpe, F Paesani Journal of Chemical Theory and Computation 19 (12), 3551-3566, 2023 | 41 | 2023 |
| MB-Fit: Software infrastructure for data-driven many-body potential energy functions EF Bull-Vulpe, M Riera, AW Götz, F Paesani The Journal of Chemical Physics 155 (12), 2021 | 27 | 2021 |
| MBX: A many-body energy and force calculator for data-driven many-body simulations M Riera, C Knight, EF Bull-Vulpe, X Zhu, H Agnew, DGA Smith, ... The Journal of Chemical Physics 159 (5), 2023 | 26 | 2023 |
| Data-driven many-body potential energy functions for generic molecules: Linear alkanes as a proof-of-concept application EF Bull-Vulpe, M Riera, SL Bore, F Paesani Journal of Chemical Theory and Computation 19 (14), 4494-4509, 2022 | 22 | 2022 |
| Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases E Palos, EF Bull-Vulpe, X Zhu, H Agnew, S Gupta, S Saha, F Paesani Journal of Chemical Theory and Computation 20 (21), 9269-9289, 2024 | 3 | 2024 |
| MBX v1. 2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations S Gupta, EF Bull-Vulpe, H Agnew, S Iyer, X Zhu, R Zhou, C Knight, ... | | 2024 |
| MBX 1.2: Acceleration of MBX Force Calculator for Many-Body Molecular Dynamics Employing MB-pol and MB-nrg Potentials S Gupta, EF Bull-Vulpe, H Agnew, S Iyer, X Zhu, R Zhou, C Knight, ... | | 2024 |
