Search

5 results in Authors: Éric Brémond

Theoretical and Computational Chemistry

DockSurf: A molecular modeling software for the prediction of protein/surface adhesion.

Florent Barbault, Eric Bremond, Julien Rey, Pierre Tuffery, François Maurel

Version 1 posted 07 April 2023

168

Downloads

Predicting Ruthenium Catalysed Hydrogenation of Esters using Machine Learning

Challenger Mishra, Niklas von Wolff, Abhinav Tripathi, Eric Brémond, Annika Preiss, Amit Kumar

Version 1 posted 11 January 2022

553

Downloads

Physical Chemistry

Modeling the Photo-Absorption Properties of Noble Metal Nanoclusters: a Challenge for Density-Functional Theory

Priscila SEVEUR, Leïla BOUBEKEUR-LECAQUE, François MAUREL, Éric BRÉMOND

Version 2 posted 15 February 2023

215

Downloads

Theoretical and Computational Chemistry

Predicting Redox Potentials by Graph-Based Machine Learning Methods

Linlin Jia, Éric Brémond, Larissa Zaida, Benoit Gaüzere, Vincent Tognetti, Laurent Joubert

Version 2 posted 19 March 2024

408

Downloads

Theoretical and Computational Chemistry

Boosting the Modeling of InfraRed and Raman Spectra of Bulk Phase Chromophores with Machine Learning

Abir KEBABSA, François MAUREL, Éric BRÉMOND

Version 1 posted 15 May 2024

28

Downloads