Professor
Publications
Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide
Physical review letters
(2021)
126
156002
Performant implementation of the atomic cluster expansion (PACE): Application to copper and silicon
(2021)
(doi: 10.48550/arxiv.2103.00814)
Data-efficient machine learning for molecular crystal structure prediction.
Chem Sci
(2021)
12
4536
(doi: 10.1039/d0sc05765g)
Machine-learned interatomic potentials for alloys and alloy phase diagrams
Npj Computational Materials
(2021)
7
24
(doi: 10.1038/s41524-020-00477-2)
Origins of structural and electronic transitions in disordered silicon
Nature
(2021)
589
59
(doi: 10.1038/s41586-020-03072-z)
SYMMETRY-AWARE ACTOR-CRITIC FOR 3D MOLECULAR DESIGN
Iclr 2021 9th International Conference on Learning Representations
(2021)
Local invertibility and sensitivity of atomic structure-feature mappings.
Open research Europe
(2021)
1
126
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide
npj Computational Materials
(2020)
6
104
(doi: 10.1038/s41524-020-00367-7)
Learning the electronic density of states in condensed matter
Physical Review B
(2020)
102
235130
(doi: 10.1103/physrevb.102.235130)
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