Professor
Publications
A machine learning based intramolecular potential for a flexible organic molecule
Faraday Discussions
(2020)
224
247
(doi: 10.1039/d0fd00028k)
Gaussian Process States: A data-driven representation of quantum many-body physics
(2020)
(doi: 10.48550/arxiv.2002.12208)
An Experimentally Driven Automated Machine Learned lnter-Atomic Potential for a Refractory Oxide
(2020)
(doi: 10.48550/arxiv.2009.04045)
Mapping materials and molecules
Accounts of chemical research
(2020)
53
1981
(doi: 10.1021/acs.accounts.0c00403)
Combining phonon accuracy with high transferability in Gaussian approximation potential models.
J Chem Phys
(2020)
153
044104
(doi: 10.1063/5.0013826)
An accurate and transferable machine learning potential for carbon
Journal of Chemical Physics
(2020)
153
034702
(doi: 10.1063/5.0005084)
Functional movements of the GABA type A receptor.
Physical chemistry chemical physics : PCCP
(2020)
22
16023
(doi: 10.1039/d0cp01128b)
An Accurate and Transferable Machine Learning Potential for Carbon
(2020)
(doi: 10.48550/arxiv.2006.13655)
Grand canonical approach to modeling hydrogen trapping at vacancies in α-Fe
Physical Review Materials
(2020)
4
063804
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