Professor
Publications
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
(2021)
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
(2021)
Machine learning potentials for extended systems: a perspective
The European Physical Journal B
(2021)
94
142
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
(2021)
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
(2021)
(doi: 10.33774/chemrxiv-2021-7qlf5)
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
(2021)
(doi: 10.26434/chemrxiv-2021-7qlf5)
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Npj Computational Materials
(2021)
7
97
(doi: 10.1038/s41524-021-00559-9)
Atomic permutationally invariant polynomials for fitting molecular force fields
Machine Learning Science and Technology
(2021)
2
025017
(doi: 10.1088/2632-2153/abd51e)
Atomic Cluster Expansion: Completeness, Efficiency and Stability
(2021)
(doi: 10.48550/arxiv.1911.03550)
Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide
Physical Review Letters
(2021)
126
156002
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