van der Oord, Cas
- A foundation model for atomistic materials chemistry
2023/12/29 by Ilyes Batatia, Batatia, Ilyes, Philipp Benner +182 · 5 voices · 137 citations
Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
- Atomic Cluster Expansion: Completeness, Efficiency and Stability
2019/11/08 by Dusson, Genevieve, Bachmayr, Markus, Csanyi, Gabor +4 · 16 citations
#FOS: Mathematics #Numerical Analysis (math.NA)
- Performant implementation of the atomic cluster expansion (PACE): Application to copper and silicon
2021/03/01 by Lysogorskiy, Yury, van der Oord, Cas, Bochkarev, Anton +8 · 19 citations
#Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials
2022/10/09 by van der Oord, Cas, Sachs, Matthias, Kovács, Dávid Péter +2 · 9 citations
#Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (stat.ML)
- ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
2023/09/06 by Witt, William C., van der Oord, Cas, Gelžinytė, Elena +10 · 3 citations
#Computational Physics (physics.comp-ph) #FOS: Physical sciences
- Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces
2024/03/22 by Stark, Wojciech G., van der Oord, Cas, Batatia, Ilyes +4 · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences