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The Journal of Chemical Physics|October 22, 2020
The effects of oxygen-induced phase segregation on the interfacial electronic structure and quantum efficiency of Cs3Sb photocathodesAlice Galdi, William J I DeBenedetti, Jan Balajka, et al.
The Journal of Chemical Physics|October 22, 2020
Near-field transmission and reflection spectroscopy for revealing absorption and scattering characteristics of single silver nanoplatesHidetoshi Mizobata, Seiju Hasegawa, Mamoru Tamura, et al.
The Journal of Chemical Physics|October 22, 2020
Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM datasetKazi S Amin, Xiaojuan Hu, Dennis R Salahub, et al.
The Journal of Chemical Physics|October 22, 2020
Binding and excitations in SixHy molecular systems using quantum Monte CarloGuangming Wang, Abdulgani Annaberdiyev, Lubos Mitas
The Journal of Chemical Physics|July 16, 2021
Nonlinear measurements of kinetics and generalized dynamical modes. I. Extracting the one-dimensional Green's function from a time seriesStuart R Hodge, Mark A Berg
The Journal of Chemical Physics|July 16, 2021
Ab initio molecular dynamics modeling of single polyethylene chains: Scission kinetics and influence of radical under mechanical strainGary S Kedziora, James Moller, Rajiv Berry, et al.
The Journal of Chemical Physics|July 16, 2021
Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2Giane B Damas, Luciano T Costa, Rajeev Ahuja, et al.
The Journal of Chemical Physics|July 16, 2021
Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green's function methods: Theory and application to GW and GF2Pavel Pokhilko, Sergei Iskakov, Chia-Nan Yeh, et al.
The Journal of Chemical Physics|July 16, 2021
Field-theoretic simulations beyond δ-interactions: Overcoming the inverse potential problem in auxiliary field modelsAlexander Weyman, Vlasis G Mavrantzas, Hans Christian Öttinger
The Journal of Chemical Physics|July 16, 2021
Nonlinear measurements of kinetics and generalized dynamical modes. II. Application to a simulation of solvation dynamics in an ionic liquidStuart R Hodge, Steven A Corcelli, Mark A Berg
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