Alastair J. A. Price
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Carlos Mera Acosta, Abbott, Joseph W. +405 · 3 voices · 9 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
2025/01/01 by Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva +23 · 1 voice · 7 citations
Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Nuclear Materials and Properties
- Adaptive hybrid density functionals
2024/02/22 by Danish Khan, Alastair J. A. Price, Khan, Danish +5 · 1 citation
Chemical Engineering · Chemistry · Materials Science · #Catalysis and Oxidation Reactions #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Data Analysis #FOS: Physical sciences #History and advancements in chemistry #Machine Learning in Materials Science #Statistics and Probability (physics.data-an)