Neto, A. H. Castro
- Predicting ionic conductivity in solids from the machine-learned potential energy landscape
2024/11/11 by Maevskiy, Artem, Carvalho, Alexandra, Sataev, Emil +5 · 2 citations
#FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory
2024/11/06 by Tianbo Li, Li, Tianbo, Min Lin +11 · 1 citation
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)