Professor
Publications
Ranking the information content of distance measures.
Pnas Nexus
(2022)
1
pgac039
(doi: 10.1093/pnasnexus/pgac039)
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four body interactions"
(2022)
(doi: 10.48550/arxiv.2205.01062)
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four body interactions"
(2022)
An accurate and transferable machine learning potential for carbon (voL 153, 034702, 2020)
The Journal of Chemical Physics
(2022)
156
159901
(doi: 10.1063/5.0091698)
Atomic cluster expansion: Completeness, efficiency and stability
Journal of Computational Physics
(2022)
454
110946
(doi: 10.1016/j.jcp.2022.110946)
Kernel charge equilibration: Efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model
Machine Learning: Science and Technology
(2022)
3
015032
(doi: 10.1088/2632-2153/ac568d)
Free Energies of Fe‐O‐Si Ternary Liquids at High Temperatures and Pressures: Implications for the Evolution of the Earth's Core Composition
Geophysical Research Letters
(2022)
49
e2021GL096749
(doi: 10.1029/2021gl096749)
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
Advances in Neural Information Processing Systems 35
(2022)
11423
(doi: 10.52202/068431-0830)
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
Advances in Neural Information Processing Systems
(2022)
35
(doi: 10.17863/CAM.111586)
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