Caro, Miguel A.
- Gaussian Approximation Potentials: theory, software implementation and application examples
2023/10/05 by Sascha Klawohn, Gábor Cśanyi, Klawohn, Sascha +8 · 5 citations
Earth and Planetary Sciences · Physics and Astronomy · #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Geophysics and Gravity Measurements #Materials Science (cond-mat.mtrl-sci) #Scientific Research and Discoveries
- Structure and Pore Size Distribution in Nanoporous Carbon
2021/09/21 by Yanzhou Wang, Zheyong Fan, Wang, Yanzhou +7 · 4 citations
Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Electron and X-Ray Spectroscopy Techniques
- Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
2024/05/23 by Zakariya El‐Machachi, El-Machachi, Zakariya, Damyan Frantzov +9 · 4 citations
Materials Science · #Machine Learning in Materials Science #Graphene research and applications
- Hybrid functional study of non-linear elasticity and internal strain in zincblende III-V materials
2018/12/11 by Tanner, Daniel S. P., Caro, Miguel A., Schulz, Stefan +1 · 1 citation
#Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics
2024/08/22 by Wang, Yanzhou, Fan, Zheyong, Qian, Ping +2 · 2 citations
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential
2024/09/12 by Rina Ibragimova, Ibragimova, Rina, Mikhail S. Kuklin +5 · 2 citations
Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)