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Molecules (Basel, Switzerland)|December 24, 2021
Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality ReductionGareth W Richings, Scott HabershonAccounts of Chemical Research|January 4, 2022
Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics SimulationsGareth W Richings, Scott HabershonThe Journal of Chemical Physics|April 9, 2018
MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfacesGareth W Richings, Scott HabershonJournal of Chemical Theory and Computation|July 19, 2017
Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy SurfacesGareth W Richings, Scott HabershonThe Journal of Physical Chemistry. A|October 26, 2020
Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden ProcessesGareth W Richings, Scott HabershonThe Journal of Chemical Physics|April 24, 2020
A new diabatization scheme for direct quantum dynamics: Procrustes diabatizationGareth W Richings, Scott HabershonJournal of Chemical Theory and Computation|December 7, 2018
Improved on-the-Fly MCTDH Simulations with Many-Body-Potential Tensor Decomposition and Projection DiabatizationGareth W Richings, Christopher Robertson, Scott HabershonFaraday Discussions|April 25, 2019
Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?Gareth W Richings, Christopher Robertson, Scott HabershonThe Journal of Chemical Physics|February 3, 2019
Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regressionIakov Polyak, Gareth W Richings, Scott Habershon, et al.Molecules (Basel, Switzerland)|December 24, 2021
Experimental and Computational Analysis of <i>Para</i>-Hydroxy Methylcinnamate following PhotoexcitationJack Dalton, Gareth W Richings, Jack M Woolley, et al.Pageof 7