Paul L A Popelier

2PUBLICATIONS
2CO-AUTHORS
Statistical mechanics in chemistryRadiation and matter
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Publications (2)

|Aug 11, 2020
Creating Gaussian process regression models for molecular simulations using adaptive sampling.

Matthew J Burn, Paul L A Popelier

|Jul 02, 2018
The accuracy of ab initio calculations without ab initio calculations for charged systems: Kriging predictions of atomistic properties for ions in aqueous solutions.

Nicodemo Di Pasquale, Stuart J Davie, Paul L A Popelier

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Frequent Collaborators

1 joint publications

Nicodemo Di Pasquale

1 joint publications

Matthew J Burn