Miguel A. Caro
- 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
- Particle Swarm Based Hyper-Parameter Optimization for Machine Learned\n Interatomic Potentials
2020/12/31 by Suresh Kondati Natarajan, Natarajan, Suresh Kondati, Miguel A. Caro +1 · 1 citation
Chemistry · Computer Science · Materials Science · #Computational Drug Discovery Methods #Crystallography and molecular interactions #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #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 · 3 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)