| On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters … SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ... The Journal of chemical physics 145 (19), 2016 | 290 | 2016 |
| i-TTM model for ab initio-based ion–water interaction potentials. 1. Halide–water potential energy functions DJ Arismendi-Arrieta, M Riera, P Bajaj, R Prosmiti, F Paesani The Journal of Physical Chemistry B 120 (8), 1822-1832, 2016 | 81 | 2016 |
| Toward chemical accuracy in the description of ion–water interactions through many-body representations. Alkali-water dimer potential energy surfaces M Riera, N Mardirossian, P Bajaj, AW Götz, F Paesani The Journal of chemical physics 147 (16), 2017 | 80 | 2017 |
| Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study M Riera, EP Yeh, F Paesani Journal of Chemical Theory and Computation 16 (4), 2246-2257, 2020 | 60 | 2020 |
| Many-Body Effects Determine the Local Hydration Structure of Cs+ in Solution D Zhuang, M Riera, GK Schenter, JL Fulton, F Paesani The journal of physical chemistry letters 10 (3), 406-412, 2019 | 57 | 2019 |
| The i-TTM model for ab initio-based ion–water interaction potentials. II. Alkali metal ion–water potential energy functions M Riera, AW Götz, F Paesani Physical Chemistry Chemical Physics 18 (44), 30334-30343, 2016 | 55 | 2016 |
| Halide ion microhydration: Structure, energetics, and spectroscopy of small halide–water clusters P Bajaj, M Riera, JK Lin, YE Mendoza Montijo, J Gazca, F Paesani The Journal of Physical Chemistry A 123 (13), 2843-2852, 2019 | 49 | 2019 |
| Low-order many-body interactions determine the local structure of liquid water M Riera, E Lambros, TT Nguyen, AW Götz, F Paesani Chemical science 10 (35), 8211-8218, 2019 | 48 | 2019 |
| Chemical accuracy in modeling halide ion hydration from many-body representations F Paesani, P Bajaj, M Riera Advances in Physics: X 4 (1), 1631212, 2019 | 47 | 2019 |
| Vapor–liquid equilibrium of water with the MB-pol many-body potential MC Muniz, TE Gartner, M Riera, C Knight, S Yue, F Paesani, ... The Journal of chemical physics 154 (21), 2021 | 46 | 2021 |
| Anomalies and local structure of liquid water from boiling to the supercooled regime as predicted by the many-body MB-pol model TE Gartner III, KM Hunter, E Lambros, A Caruso, M Riera, GR Medders, ... The Journal of Physical Chemistry Letters 13 (16), 3652-3658, 2022 | 43 | 2022 |
| Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures M Riera, A Hirales, R Ghosh, F Paesani The Journal of Physical Chemistry B 124 (49), 11207-11221, 2020 | 42 | 2020 |
| Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M+(H2O)n=1–3 Clusters, with M = Li, Na, K, Rb, and Cs, through Many-Body … M Riera, SE Brown, F Paesani The Journal of Physical Chemistry A 122 (27), 5811-5821, 2018 | 41 | 2018 |
| Nature of alkali ion–water interactions: Insights from many-body representations and density functional theory. II CK Egan, BB Bizzarro, M Riera, F Paesani Journal of Chemical Theory and Computation 16 (5), 3055-3072, 2020 | 24 | 2020 |
| 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 | 23 | 2021 |
| Highly Accurate Many-Body Potentials for Simulations of N2O5 in Water: Benchmarks, Development, and Validation VWD Cruzeiro, E Lambros, M Riera, R Roy, F Paesani, AW Gotz Journal of Chemical Theory and Computation 17 (7), 3931-3945, 2021 | 20 | 2021 |
| Infrared signatures of isomer selectivity and symmetry breaking in the Cs+ (H2O) 3 complex using many-body potential energy functions M Riera, JJ Talbot, RP Steele, F Paesani The Journal of Chemical Physics 153 (4), 2020 | 19 | 2020 |
| 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 | 16 | 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 | 16 | 2022 |
| Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases S Yue, M Riera, R Ghosh, AZ Panagiotopoulos, F Paesani The Journal of Chemical Physics 156 (10), 2022 | 15 | 2022 |
