Valentin Vassilev-Galindo

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 9

Top Topics

Pseudomonas Aeruginosa

Molecular Dynamics Simulations

Machine Learning

Single Molecule

Top Venues

Nature communications

Science advances

The Journal of chemical physics

Chemical reviews

This page only lists publications with an associated author ORCID identifier.

Publications

Miguel Gallegos, Valentin Vassilev-Galindo, Igor Poltavsky, Angel Martin Pendás, Alexandre Tkatchenko
Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors. Nature communications 15 (1) (2024)
Stefan Chmiela, Valentin Vassilev-Galindo, Oliver T Unke, Adil M Kabylda, Huziel E Sauceda, Alexandre Tkatchenko, Klaus-Robert Müller
Accurate global machine learning force fields for molecules with hundreds of atoms. Science advances 9 (2) (2023)
Stefan Chmiela, Valentin Vassilev-Galindo, Oliver T Unke, Adil M Kabylda, Huziel E Sauceda, Alexandre Tkatchenko, Klaus-Robert Müller
Accurate global machine learning force fields for molecules with hundreds of atoms. Science advances 9 (2) (2023)
Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, Igor Poltavsky, Alexandre Tkatchenko
Efficient interatomic descriptors for accurate machine learning force fields of extended molecules. Nature communications 14 (1) (2023)
Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, Igor Poltavsky, Alexandre Tkatchenko
Author Correction: Efficient interatomic descriptors for accurate machine learning force fields of extended molecules. Nature communications 14 (1) (2023)
Huziel E Sauceda, Valentin Vassilev-Galindo, Stefan Chmiela, Klaus-Robert Müller, Alexandre Tkatchenko
Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature. Nature communications 12 (1) (2021)
Valentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules. The Journal of chemical physics 154 (9) (2021)
John A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus-Robert Müller, Alexandre Tkatchenko
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems. Chemical reviews 121 (16) (2021)
Gregory Fonseca, Igor Poltavsky, Valentin Vassilev-Galindo, Alexandre Tkatchenko
Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning. The Journal of chemical physics 154 (12) (2021)