Showing results (31-40 of 192) with videos related to
Sort By:
Pageof 20
Journal of Chemical Theory and Computation|July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital BasisMatthew Welborn, Lixue Cheng, Thomas F MillerJournal of Pediatric Genetics|September 13, 2016
Potential Role of Cortisol in Social and Memory Impairments in Individuals with 22q11.2 Deletion SyndromeDaniel Jacobson, Megan Bursch, Renee Lajiness-O'NeillThe Journal of Chemical Physics|August 25, 2011
Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methodsArtur R Menzeleev, Nandini Ananth, Thomas F MillerJournal of Chemical Theory and Computation|March 1, 2017
Embedded Mean-Field Theory with Block-Orthogonalized PartitioningFeizhi Ding, Frederick R Manby, Thomas F MillerProceedings of the National Academy of Sciences of the United States of America|September 21, 2011
Dynamics and dissipation in enzyme catalysisNicholas Boekelheide, Romelia Salomón-Ferrer, Thomas F MillerThe Journal of Chemical Physics|February 18, 2014
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactionsArtur R Menzeleev, Franziska Bell, Thomas F MillerThe Journal of Chemical Physics|October 3, 2019
Cayley modification for strongly stable path-integral and ring-polymer molecular dynamicsRoman Korol, Nawaf Bou-Rabee, Thomas F MillerProceedings of the National Academy of Sciences of the United States of America|August 30, 2007
Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chainThomas F Miller, Eric Vanden-Eijnden, David ChandlerThe Journal of Chemical Physics|October 29, 2013
Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamicsPengfei Huo, Thomas F Miller, David F CokerJournal of Chemical Theory and Computation|October 18, 2016
Fock-Matrix Corrections in Density Functional Theory and Use in Embedded Mean-Field TheoryKaito Miyamoto, Thomas F Miller, Frederick R ManbyPageof 20