Gareth W Richings

发表

A new diabatization scheme for direct quantum dynamics: Procrustes diabatization.

Scott Habershon, Gareth W Richings, S. Habershon, 2020, The Journal of chemical physics.

A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method.

Gareth W Richings, Graham A Worth, G. Worth, 2015, The journal of physical chemistry. A.

MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfaces.

Scott Habershon, Gareth W Richings, S. Habershon, 2018, The Journal of chemical physics.

Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide.

Gareth W Richings, Michael A Robb, Graham A Worth, 2018, Faraday discussions.

Optimal control by computer

Gareth W Richings, G. Worth, G. W. Richings, 2013 .

A variationally stable compact Hartree–Fock-style wavefunction for a non-degenerate first excited state

Gareth W Richings, G. W. Richings, P. Karadakov, 2007 .

Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality Reduction

Gareth W Richings, S. Habershon, G. W. Richings, 2021, Molecules.

Experimental and Computational Analysis of Para-Hydroxy Methylcinnamate following Photoexcitation

Gareth W Richings, V. Stavros, S. Habershon, 2021, Molecules.

Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics Simulations.

Gareth W Richings, S. Habershon, G. W. Richings, 2022, Accounts of chemical research.

Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes.

Gareth W Richings, S. Habershon, G. W. Richings, 2020, The journal of physical chemistry. A.

Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?

Gareth W Richings, S. Habershon, G. W. Richings, 2019, Faraday discussions.

Improved on-the-Fly MCTDH Simulations with Many-Body-Potential Tensor Decomposition and Projection Diabatization.

Gareth W Richings, S. Habershon, G. W. Richings, 2018, Journal of chemical theory and computation.

Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression.

Gareth W Richings, P. Knowles, S. Habershon, 2019, The Journal of chemical physics.

Direct grid-based quantum dynamics on propagated diabatic potential energy surfaces

Scott Habershon, Gareth W Richings, S. Habershon, 2017 .

Quantum dynamics simulations using Gaussian wavepackets: the vMCG method

Gareth W Richings, G. Worth, I. Burghardt, 2015 .

Substituent position effects on sunscreen photodynamics: A closer look at methyl anthranilate

Gareth W Richings, M. S. Turner, N. Hine, 2018, Chemical Physics.

Non-resonant dynamic Stark control at a conical intersection: the photodissociation of ammonia.

Gareth W Richings, G. Worth, G. W. Richings, 2012, The journal of physical chemistry. A.

Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide.

Gareth W Richings, K. E. Spinlove, Mike A. Robb, 2018, Faraday discussions.

Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence.

Gareth W Richings, D. Tew, A. Köhn, 2008, The Journal of chemical physics.