Valentín Vassilev-Galindo

Accurate global machine learning force fields for molecules with hundreds of atoms

Stefan Chmiela, Valentín Vassilev-Galindo, Oliver T. Unke et al. · Science Advances · 2023 · 171 citations · Full text

Natural Sciences, Chemistry, Physics +17

Planar pentacoordinate carbon atoms embedded in a metallocene framework

Zhong‐hua Cui, Valentín Vassilev-Galindo, José Luis Cabellos et al. · Chemical Communications · 2016 · 77 citations

Natural Sciences, Chemistry, Physics +17

Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors

Miguel Gallegos, Valentín Vassilev-Galindo, Igor Poltavsky et al. · Nature Communications · 2024 · 70 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules

Valentín Vassilev-Galindo, Grégory Fonseca, Igor Poltavsky et al. · The Journal of Chemical Physics · 2021 · 52 citations · Full text

Natural Sciences, Chemistry, Physics +17

Efficient interatomic descriptors for accurate machine learning force fields of extended molecules

Adil Kabylda, Valentín Vassilev-Galindo, Stefan Chmiela et al. · Nature Communications · 2023 · 39 citations · Full text

Natural Sciences, Materials Science, Biomolecular Modeling +16