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The Journal of Chemical Physics|October 2, 2021
MB-Fit: Software infrastructure for data-driven many-body potential energy functionsEthan F Bull-Vulpe, Marc Riera, Andreas W Götz, et al.The Journal of Chemical Physics|November 4, 2017
Toward chemical accuracy in the description of ion-water interactions through many-body representations. Alkali-water dimer potential energy surfacesMarc Riera, Narbe Mardirossian, Pushp Bajaj, et al.Journal of Chemical Theory and Computation|September 16, 2022
Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept ApplicationEthan F Bull-Vulpe, Marc Riera, Sigbjørn L Bore, et al.The Journal of Physical Chemistry. B|November 13, 2015
i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy FunctionsDaniel J Arismendi-Arrieta, Marc Riera, Pushp Bajaj, et al.The Journal of Physical Chemistry Letters|January 11, 2019
Many-Body Effects Determine the Local Hydration Structure of Cs<sup>+</sup> in SolutionDebbie Zhuang, Marc Riera, Gregory K Schenter, et al.Chemical Science|March 6, 2020
Low-order many-body interactions determine the local structure of liquid waterMarc Riera, Eleftherios Lambros, Thuong T Nguyen, et al.Journal of Chemical Theory and Computation|May 24, 2021
Highly Accurate Many-Body Potentials for Simulations of N<sub>2</sub>O<sub>5</sub> in Water: Benchmarks, Development, and ValidationVinícius Wilian D Cruzeiro, Eleftherios Lambros, Marc Riera, et al.The Journal of Physical Chemistry. A|March 13, 2019
Halide Ion Microhydration: Structure, Energetics, and Spectroscopy of Small Halide-Water ClustersPushp Bajaj, Marc Riera, Jason K Lin, et al.The Journal of Chemical Physics|May 21, 2022
The behavior of methane-water mixtures under elevated pressures from simulations using many-body potentialsVictor Naden Robinson, Raja Ghosh, Colin K Egan, et al.Journal of Chemical Theory and Computation|October 15, 2025
Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated SystemsXin Chen, Jessica A Martinez B, Xuecheng Shao, et al.Pageof 3