Esteban Marques

2PUBLICATIONS
3CO-AUTHORS
Theoretical quantum chemistryComputational chemistry
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Publications (2)

|May 13, 2023
Benchmarking First-Principles Reaction Equilibrium Composition Prediction.

Esteban A Marques, Stefan De Gendt, Geoffrey Pourtois

|Mar 03, 2023
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information.

Esteban Marques, Stefan de Gendt, Geoffrey Pourtois

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Frequent Collaborators

2 joint publications

Geoffrey Pourtois

2 joint publications

Michiel J van Setten

1 joint publications

Stefan De Gendt