Showing results (1-10 of 24) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|June 29, 2023
Toward Data-Driven Many-Body Simulations of Biomolecules in Solution: <i>N</i>-Methyl Acetamide as a Proxy for the Protein BackboneRuihan Zhou, Marc Riera, Francesco Paesani
The Journal of Physical Chemistry. A|June 14, 2018
Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M<sup>+</sup>(H<sub>2</sub>O) <sub>n=1-3</sub> Clusters, with M = Li, Na, K, Rb, and Cs, through Many-Body RepresentationsMarc Riera, Sandra E Brown, Francesco Paesani
Physical Chemistry Chemical Physics : PCCP|October 7, 2016
The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functionsMarc Riera, Andreas W Götz, Francesco Paesani
Journal of Chemical Theory and Computation|March 5, 2020
Data-Driven Many-Body Models for Molecular Fluids: CO<sub>2</sub>/H<sub>2</sub>O Mixtures as a Case StudyMarc Riera, Eric P Yeh, Francesco Paesani
The Journal of Physical Chemistry. B|November 24, 2020
Data-Driven Many-Body Models with Chemical Accuracy for CH<sub>4</sub>/H<sub>2</sub>O MixturesMarc Riera, Alan Hirales, Raja Ghosh, et al.
Journal of Chemical Theory and Computation|April 7, 2020
Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. IIColin K Egan, Brandon B Bizzarro, Marc Riera, et al.
The Journal of Physical Chemistry. B|November 3, 2022
Hydration Structure of Na<sup>+</sup> and K<sup>+</sup> Ions in Solution Predicted by Data-Driven Many-Body PotentialsDebbie Zhuang, Marc Riera, Ruihan Zhou, et al.
Journal of Chemical Theory and Computation|May 30, 2023
MB-pol(2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid PhaseXuanyu Zhu, Marc Riera, Ethan F Bull-Vulpe, et al.
The Journal of Chemical Physics|August 6, 2020
Infrared signatures of isomer selectivity and symmetry breaking in the Cs<sup>+</sup>(H<sub>2</sub>O)<sub>3</sub> complex using many-body potential energy functionsMarc Riera, Justin J Talbot, Ryan P Steele, et al.
The Journal of Chemical Physics|March 16, 2022
Transferability of data-driven, many-body models for CO<sub>2</sub> simulations in the vapor and liquid phasesShuwen Yue, Marc Riera, Raja Ghosh, et al.
Pageof 3