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Paul L A Popelier

2PUBLICATIONS

2CO-AUTHORS

Statistical mechanics in chemistryRadiation and matter

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Publications (2)

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|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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Nicodemo Di Pasquale

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Matthew J Burn

Frequent Collaborators

1 joint publications

Nicodemo Di Pasquale

1 joint publications

Matthew J Burn

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