A. Thom

activity

20142026

most citedDevelopments in Stochastic Coupled Cluster Theory: The initiator approximation and application to the Uniform Electron Gas

51 citations · 657 across the 43 of their papers we have counts for

collaborators

Showing 2022Show all

2 papers · 1 filter

physics.chem-ph2022★ 3 cited

Modified noise kernels in Gaussian process modelling of energy surfaces

Fabio E. A. Albertani, Alex J. W. Thom

We explore the use of non homogenous noise kernels in Gaussian process modelling to improve the potential energy curve models describing stochastic electronic structure data. We us…

physics.chem-ph2022★ 4 cited

The density and pressure of helium nano-bubbles encapsulated in silicon

N. C. Pyper, A. J. W. Thom, Colm T. Whelan

The $1 s^{2} - > 1 s 2 p (^{1} P)$ excitation in confined and compressed helium atoms in either the bulk material or encapsulated in a bubble is shifted to energies higher than that in the free…