Professor
Publications
Dynamic Local Structure in Caesium Lead Iodide: Spatial Correlation and Transient Domains
(2023)
(doi: 10.48550/arxiv.2304.04714)
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
(2023)
(doi: 10.48550/arxiv.2206.07697)
Machine Learning Force Field for Molecular Liquids:EC/EMC Binary Solvent
(2022)
(doi: 10.26434/chemrxiv-2022-l4tb9)
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
(2022)
(doi: 10.48550/arxiv.2205.06643)
Hyperactive learning for data-driven interatomic potentials
(2022)
(doi: 10.21203/rs.3.rs-2248548/v1)
Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials
(2022)
(doi: 10.48550/arxiv.2210.04225)
Comment on "manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)]
J Chem Phys
(2022)
157
177101
(doi: 10.1063/5.0088404)
Multilayer atomic cluster expansion for semilocal interactions
Physical Review Research
(2022)
4
l042019
Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential
(2022)
(doi: 10.48550/arxiv.2208.05912)
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