Marc Riera
Marc Riera
Verified email at ucsd.edu
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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
1292016
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
522016
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
352017
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
332016
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
252018
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
212019
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
192019
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
142019
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
142019
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
52020
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
52020
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
12020
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
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