Professor
Publications
Symmetry-Aware Actor-Critic for 3D Molecular Design
International Conference on Learning Representations, 2021
(2020)
Learning the electronic density of states in condensed matter
(2020)
(doi: 10.48550/arxiv.2006.11803)
Gaussian Process States: A Data-Driven Representation of Quantum Many-Body Physics
Physical Review X
(2020)
10
041026
(doi: 10.1103/physrevx.10.041026)
Machine learning driven simulated deposition of carbon films: from low-density to diamondlike amorphous carbon
(2020)
(doi: 10.48550/arxiv.2006.09760)
Machine learning driven simulated deposition of carbon films: From low-density to diamondlike amorphous carbon
Physical Review B
(2020)
102
174201
(doi: 10.1103/physrevb.102.174201)
Machine learning in chemical reaction space
Nature communications
(2020)
11
5505
(doi: 10.1038/s41467-020-19267-x)
A general-purpose machine-learning force field for bulk and nanostructured phosphorus
Nat Commun
(2020)
11
5461
(doi: 10.1038/s41467-020-19168-z)
Atomic Permutationally Invariant Polynomials for Fitting Molecular Force Fields
(2020)
(doi: 10.48550/arxiv.2010.12200)
Machine learning interatomic potential developed for molecular simulations on thermal properties of β -Ga2O3
Journal of Chemical Physics
(2020)
153
144501
(doi: 10.1063/5.0027643)
Incompleteness of Atomic Structure Representations
Physical review letters
(2020)
125
166001
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