Mrovec, Matous

1. 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 · 27 citations
   #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
2. Active learning strategies for atomic cluster expansion models
   2022/12/16 by Yury Lysogorskiy, Anton Bochkarev, Lysogorskiy, Yury +5 · 10 citations
   Chemistry · Materials Science · #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
3. Atomic cluster expansion for quantum-accurate large-scale simulations of carbon
   2022/10/17 by Minaam Qamar, Qamar, Minaam, Matous Mrovec +7 · 7 citations
   Earth and Planetary Sciences · Materials Science · #Diamond and Carbon-based Materials Research #FOS: Physical sciences #High-pressure geophysics and materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
4. Non-collinear Magnetic Atomic Cluster Expansion for Iron
   2023/05/24 by Matteo Rinaldi, Matous Mrovec, Rinaldi, Matteo +7 · 6 citations
   Energy · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Iron oxide chemistry and applications #Machine Learning in Materials Science #Magnetic properties of thin films #Materials Science (cond-mat.mtrl-sci)
5. Development of an Atomic Cluster Expansion potential for iron and its oxides
   2024/07/18 by Baptiste Bienvenu, Bienvenu, Baptiste, Mira Todorova +11 · 2 citations
   Engineering · Chemical Engineering · Chemistry · #Advanced Materials Characterization Techniques #Catalysis and Oxidation Reactions #Radioactive element chemistry and processing
6. Atomic Cluster Expansion for a General-Purpose Interatomic Potential of Magnesium
   2023/05/05 by Eslam Ibrahim, Ibrahim, Eslam, Yury Lysogorskiy +5 · 1 citation
   Chemistry · Materials Science · Physics and Astronomy · #Inorganic Chemistry and Materials #Magnesium Alloys: Properties and Applications #Rare-earth and actinide compounds