Esteban A Marques (Esteban Marques)

Publication Activity (10 Years)

Years Active: 2023-2023
Publications (10 Years): 5

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

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

Publications

Esteban A Marques, Stefan De Gendt, Geoffrey Pourtois, Michiel J van Setten
Benchmarking First-Principles Reaction Equilibrium Composition Prediction. Molecules (Basel, Switzerland) 28 (9) (2023)
Esteban A Marques, Stefan de Gendt, Geoffrey Pourtois, Michiel J van Setten
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information. Journal of chemical information and modeling (2023)
Esteban A Marques, Stefan De Gendt, Geoffrey Pourtois, Michiel J van Setten
Benchmarking First-Principles Reaction Equilibrium Composition Prediction. Molecules (Basel, Switzerland) 28 (9) (2023)
Esteban A Marques, Stefan de Gendt, Geoffrey Pourtois, Michiel J van Setten
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information. Journal of chemical information and modeling 63 (5) (2023)
Esteban A Marques, Stefan de Gendt, Geoffrey Pourtois, Michiel J van Setten
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information. Journal of chemical information and modeling 63 (5) (2023)