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The Journal of Chemical Physics
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June 24, 2017
Validating and implementing modified Filinov phase filtration in semiclassical dynamics
Matthew S Church, Sergey V Antipov, Nandini Ananth
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
The Journal of Chemical Physics
|
June 5, 2026
MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations
Britta A Johnson, Siyu Bu, Christopher J Mundy, et al.
ACS Central Science
|
May 11, 2016
Tuning the Ground State Symmetry of Acetylenyl Radicals
Tao Zeng, David Danovich, Sason Shaik, et al.
The Journal of Chemical Physics
|
December 24, 2017
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer
Sadrach Pierre, Jessica R Duke, Timothy J H Hele, et al.
The Journal of Chemical Physics
|
September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
The Journal of Chemical Physics
|
August 28, 2024
GPU-accelerated on-the-fly nonadiabatic semiclassical dynamics
Christopher A Myers, Ken Miyazaki, Thomas Trepl, et al.
Biorxiv : the Preprint Server for Biology
|
March 27, 2026
Modulating radical propagation in proteins by proton-coupled electron transfer and hydrogen bonding
Rebecca K Zawistowski, Timothée Chauviré, Sutanuka Mana, et al.
The Journal of Chemical Physics
|
March 17, 2018
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation
Matthew S Church, Timothy J H Hele, Gregory S Ezra, et al.
Journal of the American Chemical Society
|
August 26, 2014
Tuning spin-states of carbynes and silylynes: a long jump with one leg
Tao Zeng, Hui Wang, Yunxiang Lu, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 36) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
June 24, 2017
Validating and implementing modified Filinov phase filtration in semiclassical dynamics
Matthew S Church, Sergey V Antipov, Nandini Ananth
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
The Journal of Chemical Physics
|
June 5, 2026
MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations
Britta A Johnson, Siyu Bu, Christopher J Mundy, et al.
ACS Central Science
|
May 11, 2016
Tuning the Ground State Symmetry of Acetylenyl Radicals
Tao Zeng, David Danovich, Sason Shaik, et al.
The Journal of Chemical Physics
|
December 24, 2017
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer
Sadrach Pierre, Jessica R Duke, Timothy J H Hele, et al.
The Journal of Chemical Physics
|
September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
The Journal of Chemical Physics
|
August 28, 2024
GPU-accelerated on-the-fly nonadiabatic semiclassical dynamics
Christopher A Myers, Ken Miyazaki, Thomas Trepl, et al.
Biorxiv : the Preprint Server for Biology
|
March 27, 2026
Modulating radical propagation in proteins by proton-coupled electron transfer and hydrogen bonding
Rebecca K Zawistowski, Timothée Chauviré, Sutanuka Mana, et al.
The Journal of Chemical Physics
|
March 17, 2018
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation
Matthew S Church, Timothy J H Hele, Gregory S Ezra, et al.
Journal of the American Chemical Society
|
August 26, 2014
Tuning spin-states of carbynes and silylynes: a long jump with one leg
Tao Zeng, Hui Wang, Yunxiang Lu, et al.
Page
of 4