322 citations · 324 across the 3 of their papers we have counts for
5 papers
Inexpensive modelling of quantum dynamics using path integral generalized Langevin equation thermostats
Venkat Kapil, David M. Wilkins, Jinggang Lan +1
The properties of molecules and materials containing light nuclei are affected by their quantum mechanical nature. Modelling these quantum nuclear effects accurately requires compu…
Atomic-scale representation and statistical learning of tensorial properties
Andrea Grisafi, David M. Wilkins, Michael J. Willatt +1
This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial…
Symmetry-Adapted Machine-Learning for Tensorial Properties of Atomistic Systems
Andrea Grisafi, David M. Wilkins, Gábor Csányi +1
Statistical learning methods show great promise in providing an accurate prediction of materials and molecular properties, while minimizing the need for computationally demanding e…
Solvent Fluctuations and Nuclear Quantum Effects Modulate the Molecular Hyperpolarizability of Water
Chungwen Liang, Gabriele Tocci, David Wilkins +3
Second-Harmonic Scatteringh (SHS) experiments provide a unique approach to probe non-centrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells…
A Theoretical Investigation Into Energy Transfer In Photosynthetic Open Quantum Systems
David M. Wilkins
This thesis looks at the electronic energy transfer in the Fenna-Matthews-Olson complex, in which evidence of long-lived coherence has been observed in 2-dimensional infrared exper…