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Molecules (Basel, Switzerland)
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December 24, 2021
Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality Reduction
Gareth W Richings, Scott Habershon
The Journal of Physical Chemistry. A
|
October 26, 2020
Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes
Gareth W Richings, Scott Habershon
The Journal of Chemical Physics
|
April 24, 2020
A new diabatization scheme for direct quantum dynamics: Procrustes diabatization
Gareth W Richings, Scott Habershon
Accounts of Chemical Research
|
January 4, 2022
Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics Simulations
Gareth W Richings, Scott Habershon
The Journal of Chemical Physics
|
April 9, 2018
MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfaces
Gareth W Richings, Scott Habershon
Journal of Chemical Theory and Computation
|
July 19, 2017
Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces
Gareth W Richings, Scott Habershon
The Journal of Physical Chemistry. A
|
August 7, 2012
Non-resonant dynamic Stark control at a conical intersection: the photodissociation of ammonia
Gareth W Richings, Graham A Worth
The Journal of Chemical Physics
|
January 3, 2015
The time-resolved photoelectron spectrum of toluene using a perturbation theory approach
Gareth W Richings, Graham A Worth
The Journal of Physical Chemistry. A
|
October 1, 2015
A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method
Gareth W Richings, Graham A Worth
The Journal of Chemical Physics
|
December 3, 2008
Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence
Andreas Köhn, Gareth W Richings, David P Tew
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Molecules (Basel, Switzerland)
|
December 24, 2021
Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality Reduction
Gareth W Richings, Scott Habershon
The Journal of Physical Chemistry. A
|
October 26, 2020
Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes
Gareth W Richings, Scott Habershon
The Journal of Chemical Physics
|
April 24, 2020
A new diabatization scheme for direct quantum dynamics: Procrustes diabatization
Gareth W Richings, Scott Habershon
Accounts of Chemical Research
|
January 4, 2022
Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics Simulations
Gareth W Richings, Scott Habershon
The Journal of Chemical Physics
|
April 9, 2018
MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfaces
Gareth W Richings, Scott Habershon
Journal of Chemical Theory and Computation
|
July 19, 2017
Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces
Gareth W Richings, Scott Habershon
The Journal of Physical Chemistry. A
|
August 7, 2012
Non-resonant dynamic Stark control at a conical intersection: the photodissociation of ammonia
Gareth W Richings, Graham A Worth
The Journal of Chemical Physics
|
January 3, 2015
The time-resolved photoelectron spectrum of toluene using a perturbation theory approach
Gareth W Richings, Graham A Worth
The Journal of Physical Chemistry. A
|
October 1, 2015
A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method
Gareth W Richings, Graham A Worth
The Journal of Chemical Physics
|
December 3, 2008
Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence
Andreas Köhn, Gareth W Richings, David P Tew
Page
of 2