2023Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional ApproximationsSibali DebnathVerena A. NeufelLeif D. JacobsonBenjamin RudshteynJohn L. Weber Timothy C. BerkelbachRichard A. FriesnerHighly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple ExcitationsTimothy C. BerkelbachVerena A. Neufel2022High-Dimensional Neural Network Potential for Liquid Electrolyte SimulationsSteven DajnowiczGarvit AgarwalJames M. StevensonLeif D. JacobsonFarhad RamezanghorbaniKarl LeswingRichard A. FriesnerMathew D. HallsFeatured Publicationedit publication{{ name }}. . . Abstract Citation No resultsThere are no publications with the provided filters.Sort Publications ByKeyword filter: {{ filter.label }}
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional ApproximationsSibali DebnathVerena A. NeufelLeif D. JacobsonBenjamin RudshteynJohn L. Weber Timothy C. BerkelbachRichard A. Friesner
Highly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple ExcitationsTimothy C. BerkelbachVerena A. Neufel
High-Dimensional Neural Network Potential for Liquid Electrolyte SimulationsSteven DajnowiczGarvit AgarwalJames M. StevensonLeif D. JacobsonFarhad RamezanghorbaniKarl LeswingRichard A. FriesnerMathew D. Halls