Marie-Pierre Gaigeot

According to our database, Marie-Pierre Gaigeot authored at least 6 papers between 2009 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts.

Ali Hashemi, Sana Bougueroua, Marie-Pierre Gaigeot, Evgeny Pidko

J. Chem. Inf. Model., October, 2023

2015

A New Graph Algorithm for the Analysis of Conformational Dynamics of Molecules.

Dominique Barth, Sana Bougueroua, Marie-Pierre Gaigeot, Franck Quessette, R. Spezia, Sandrine Vial

Proceedings of the Information Sciences and Systems 2015, 2015

2014

MCMC² (version 1.1): A Monte Carlo code for multiply-charged clusters.

David A. Bonhommeau, Marius Lewerenz, Marie-Pierre Gaigeot

Comput. Phys. Commun., 2014

MDMC²: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters.

David A. Bonhommeau, Marie-Pierre Gaigeot

Comput. Phys. Commun., 2014

2013

MCMC² : A Monte Carlo code for multiply-charged clusters.

David A. Bonhommeau, Marie-Pierre Gaigeot

Comput. Phys. Commun., 2013

2009

MDVRY: a polarizable classical molecular dynamics package for biomolecules.

M. Souaille, H. Loirat, Daniel Borgis, Marie-Pierre Gaigeot

Comput. Phys. Commun., 2009