| 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), 194504, 2016 | 129 | 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 | 52 | 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), 161715, 2017 | 35 | 2017 |
| 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 | 33 | 2016 |
| 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 | 25 | 2018 |
| 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 | 21 | 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 | 19 | 2019 |
| 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 | 14 | 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 | 14 | 2019 |
| 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 | 5 | 2020 |
| 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 | 5 | 2020 |
| 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 | 1 | 2020 |
| Highly Accurate Many-Body Potentials for Simulations of N2O5 in Water: Benchmarks, Development, and Validation V Cruzeiro, E Lambros, M Riera, R Roy, F Paesani, A Goetz | | 2021 |
| Infrared signatures of isomer selectivity and symmetry breaking in the complex using many-body potential energy functions M Riera, JJ Talbot, RP Steele, F Paesani The Journal of Chemical Physics 153 (4), 044306, 2020 | | 2020 |
| Many-body effects determine the hydration structure of alkali ions in solution D Zhuang, M Riera, F Paesani ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| MB-nrg doesn't work by accident! C Egan, B Bizzarro, M Riera, F Paesani ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Automated machine learning of accurate many-body potentials for molecular simulations E Bull-Vulpe, K Ganapathy, M Riera, Y Zhai, F Paesani, A Goetz, S Brown ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Towards a realistic modeling of ion hydration, one molecule at a time M Riera, P Bajaj, D Zhuang, C Egan, B Bizzarro, F Paesani ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Modeling hydration, one water molecule at a time P Bajaj, M Riera, A Goetz, D Moberg, F Paesani ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Achieving chemical accuracy across phases through many-body potential energy surfaces P Bajaj, M Riera, F Paesani ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
