Professor
Publications
Polytypism in the ground state structure of the Lennard-Jonesium
(2017)
(doi: 10.48550/arxiv.1705.01751)
Discovering the Building Blocks of Atomic Systems using Machine Learning
npj Comput. Mater.
(2017)
3
29
(doi: 10.48550/arxiv.1703.06236)
Extracting Crystal Chemistry from Amorphous Carbon Structures
Chemphyschem : a European journal of chemical physics and physical chemistry
(2017)
18
873
(doi: 10.1002/cphc.201700151)
Machine learning based interatomic potential for amorphous carbon
Physical Review B - Condensed Matter and Materials Physics
(2017)
95
094203
(doi: 10.1103/PhysRevB.95.094203)
Machine-learning based interatomic potential for amorphous carbon
(2016)
(doi: 10.48550/arxiv.1611.03277)
Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression
J Chem Theory Comput
(2016)
12
5100
(doi: 10.1021/acs.jctc.6b00553)
Many-Body Dispersion Correction Effects on Bulk and Surface Properties of Rutile and Anatase TiO$_2$
Journal of Physical Chemistry C
(2016)
120
21552
(doi: 10.1021/acs.jpcc.6b07141)
Modeling Molecular Interactions in Water: From Pairwise to Many Body Potential Energy Functions
Chemical reviews
(2016)
116
7501
(doi: 10.1021/acs.chemrev.5b00644)
Gaussian approximation potentials: A brief tutorial introduction (vol 115, pg 1051, 2015)
International Journal of Quantum Chemistry
(2016)
116
1049
(doi: 10.1002/qua.25140)
- ‹ previous
- Page 29
