Search research articles
Contact Us
Filters
Showing results (21-30 of 111) with videos related to
Page
of 12
Sort By:
The Journal of Physical Chemistry. A
|
February 23, 2019
Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping
Xuecheng Tao, Philip Shushkov, Thomas F Miller
Faraday Discussions
|
October 11, 2016
Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects
Joshua S Kretchmer, Thomas F Miller Iii
Journal of Chemical Theory and Computation
|
July 20, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space
Lixue Cheng, Jiace Sun, Thomas F Miller
Journal of Chemical Theory and Computation
|
July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F Miller
The 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 methods
Artur R Menzeleev, Nandini Ananth, Thomas F Miller
Journal of Chemical Theory and Computation
|
March 1, 2017
Embedded Mean-Field Theory with Block-Orthogonalized Partitioning
Feizhi Ding, Frederick R Manby, Thomas F Miller
Proceedings of the National Academy of Sciences of the United States of America
|
September 21, 2011
Dynamics and dissipation in enzyme catalysis
Nicholas Boekelheide, Romelia Salomón-Ferrer, Thomas F Miller
The Journal of Chemical Physics
|
February 18, 2014
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions
Artur R Menzeleev, Franziska Bell, Thomas F Miller
The Journal of Chemical Physics
|
October 3, 2019
Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics
Roman Korol, Nawaf Bou-Rabee, Thomas F Miller
Proceedings 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 chain
Thomas F Miller, Eric Vanden-Eijnden, David Chandler
Page
of 12
Search research articles
Search
Showing results (21-30 of 111) with videos related to
Sort By:
Page
of 12
The Journal of Physical Chemistry. A
|
February 23, 2019
Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping
Xuecheng Tao, Philip Shushkov, Thomas F Miller
Faraday Discussions
|
October 11, 2016
Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects
Joshua S Kretchmer, Thomas F Miller Iii
Journal of Chemical Theory and Computation
|
July 20, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space
Lixue Cheng, Jiace Sun, Thomas F Miller
Journal of Chemical Theory and Computation
|
July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F Miller
The 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 methods
Artur R Menzeleev, Nandini Ananth, Thomas F Miller
Journal of Chemical Theory and Computation
|
March 1, 2017
Embedded Mean-Field Theory with Block-Orthogonalized Partitioning
Feizhi Ding, Frederick R Manby, Thomas F Miller
Proceedings of the National Academy of Sciences of the United States of America
|
September 21, 2011
Dynamics and dissipation in enzyme catalysis
Nicholas Boekelheide, Romelia Salomón-Ferrer, Thomas F Miller
The Journal of Chemical Physics
|
February 18, 2014
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions
Artur R Menzeleev, Franziska Bell, Thomas F Miller
The Journal of Chemical Physics
|
October 3, 2019
Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics
Roman Korol, Nawaf Bou-Rabee, Thomas F Miller
Proceedings 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 chain
Thomas F Miller, Eric Vanden-Eijnden, David Chandler
Page
of 12