Cas van der Oord

Bridge University — SS

Materials Science · Physical Sciences

11h-index860citations22works42.52yr avg
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Research Topics

Machine Learning in Materials Science(21), Mass Spectrometry Techniques and Applications(8), X-ray Diffraction in Crystallography(7), Advanced Chemical Physics Studies(6), Force Microscopy Techniques and Applications(6)

Publications22 total

A foundation model for atomistic materials chemistry
The Journal of Chemical Physics·2025· 65 citedOpen Access
Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces
Machine Learning Science and Technology·2024· 20 citedOpen Access
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
The Journal of Chemical Physics·2023· 36 citedOpen Access
Hyperactive learning for data-driven interatomic potentials
npj Computational Materials·2023· 94 citedOpen Access
Hyperactive learning for data-driven interatomic potentials
Research Square (Research Square)·2022· 11 citedOpen Access
Atomic cluster expansion: Completeness, efficiency and stability
Journal of Computational Physics·2022· 139 cited
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE
Journal of Chemical Theory and Computation·2021· 111 citedOpen Access
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
2021· 13 citedOpen Access
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
2021Open Access
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
2021· 6 citedOpen Access
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
2021· 1 citedOpen Access
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
2021Open Access
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
2021Open Access
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE
2021Open Access
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
2021· 2 citedOpen Access
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
npj Computational Materials·2021· 226 citedOpen Access
Performant implementation of the atomic cluster expansion
2021· 1 citedOpen Access
Performant implementation of the atomic cluster expansion (PACE): Application to copper and silicon
arXiv (Cornell University)·2021· 11 citedOpen Access
Approximation of Atomic Interactions with Spherical Harmonics
arXiv (Cornell University)·2020Open Access
Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials
Machine Learning Science and Technology·2020· 96 citedOpen Access
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Frequent Co-authors

Christoph Ortner(21), Gábor Cśanyi(13), Dávid Péter Kovács(11), Alice E. A. Allen(9), Daniel J. Cole(9), Jiří Kučera(7), Gábor Csányi(7), Ralf Drautz(5), Yury Lysogorskiy(3), Anton Bochkarev(3), Sarath Menon(3), Matteo Rinaldi(3), Thomas Hammerschmidt(3), Matous Mrovec(3), Geneviève Dusson(3), Markus Bachmayr(3), Simon Etter(3), Matthias Sachs(3), Aidan P. Thompson(2), Gábor Csányi(2)