Publications 2023 Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations Sibali Debnath Verena A. Neufel Leif D. Jacobson Benjamin Rudshteyn John L. Weber Timothy C. Berkelbach Richard A. Friesner Highly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple Excitations Timothy C. Berkelbach Verena A. Neufel 2022 High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations Steven Dajnowicz Garvit Agarwal James M. Stevenson Leif D. Jacobson Farhad Ramezanghorbani Karl Leswing Richard A. Friesner Mathew D. Halls Featured Publication edit publication {{ name }} . . . Abstract Citation No resultsThere are no publications with the provided filters. Sort Publications By Keyword filter: {{ filter.label }}
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations Sibali Debnath Verena A. Neufel Leif D. Jacobson Benjamin Rudshteyn John L. Weber Timothy C. Berkelbach Richard A. Friesner
Highly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple Excitations Timothy C. Berkelbach Verena A. Neufel
High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations Steven Dajnowicz Garvit Agarwal James M. Stevenson Leif D. Jacobson Farhad Ramezanghorbani Karl Leswing Richard A. Friesner Mathew D. Halls
