Showing 1–14 of 14 results
/ Date/ Name
Nov 24, 2010The effect of ionization on the global minima of small and medium sized silicon and magnesium clustersNov 18, 2013Glassy clusters: Relations between their dynamics and characteristic features of their energy landscapeDec 14, 2010The energy landscape of fullerene materials: a comparison between boron, boron-nitride and carbonNov 13, 2016Mapping and Classifying Molecules from a High-Throughput Structural DatabaseMar 4, 2026False Metallization in Short-Ranged Machine Learned Interatomic PotentialsOct 11, 2023Surface segregation in high-entropy alloys from alchemical machine learningJan 24, 2023Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force FieldsDec 26, 2022Modeling high-entropy transition-metal alloys with alchemical compressionDec 28, 2015Comparing molecules and solids across structural and alchemical spaceJun 24, 2025Massive Atomic Diversity: a compact universal dataset for atomistic machine learningJun 1, 2017Machine Learning Unifies the Modelling of Materials and MoleculesAug 7, 2020An assessment of the structural resolution of various fingerprints commonly used in machine learningMay 29, 2018Chemical Shifts in Molecular Solids by Machine LearningDec 29, 2023A foundation model for atomistic materials chemistry