Publications by authors named "Gabriel Stoltz"

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Analyzing Multimodal Probability Measures with Autoencoders.
Tony Lelièvre, Thomas Pigeon, Gabriel Stoltz, Wei Zhang

J Phys Chem B· March 2024

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Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states.
Zineb Belkacemi, Marc Bianciotto, Hervé Minoux, Tony Lelièvre, Gabriel Stoltz

J Chem Phys· July 2023

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Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Molecular Dynamics.
Thomas Pigeon, Gabriel Stoltz, Manuel Corral-Valero, Ani Anciaux-Sedrakian, Maxime Moreaud

J Chem Theory Comput· June 2023

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Frequency and field-dependent response of confined electrolytes from Brownian dynamics simulations.
Thê Hoang Ngoc Minh, Gabriel Stoltz, Benjamin Rotenberg

J Chem Phys· March 2023

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Chasing Collective Variables Using Autoencoders and Biased Trajectories.
Zineb Belkacemi, Paraskevi Gkeka, Tony Lelièvre, Gabriel Stoltz

J Chem Theory Comput· January 2022

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Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.
Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani, Zineb Belkacemi, Michele Ceriotti

J Chem Theory Comput· August 2020

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Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method.
Adrien Lesage, Tony Lelièvre, Gabriel Stoltz, Jérôme Hénin

J Phys Chem B· April 2017

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Size consistency in smoothed dissipative particle dynamics.
Gérôme Faure, Jean-Bernard Maillet, Julien Roussel, Gabriel Stoltz

Phys Rev E· October 2016

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New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation.
Ahmed-Amine Homman, Jean-Bernard Maillet, Julien Roussel, Gabriel Stoltz

J Chem Phys· January 2016

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Permutation-invariant distance between atomic configurations.
Grégoire Ferré, Jean-Bernard Maillet, Gabriel Stoltz

J Chem Phys· September 2015

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Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting.
Lingling Cao, Gabriel Stoltz, Tony Lelièvre, Mihai-Cosmin Marinica, Manuel Athènes

J Chem Phys· March 2014

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Local density dependent potential for compressible mesoparticles.
Gérôme Faure, Jean-Bernard Maillet, Gabriel Stoltz

J Chem Phys· March 2014

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Negative thermal conductivity of chains of rotors with mechanical forcing.
Alessandra Iacobucci, Frédéric Legoll, Stefano Olla, Gabriel Stoltz

Phys Rev E Stat Nonlin Soft Matter Phys· December 2011

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Microscopic calculations of Hugoniot curves of neat triaminotrinitrobenzene (TATB) and of its detonation products.
Emeric Bourasseau, Jean-Bernard Maillet, Nicolas Desbiens, Gabriel Stoltz

J Phys Chem A· October 2011

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Free energy calculations: an efficient adaptive biasing potential method.
Bradley M Dickson, Frédéric Legoll, Tony Lelièvre, Gabriel Stoltz, Paul Fleurat-Lessard

J Phys Chem B· May 2010

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Many-body green function of degenerate systems.
Christian Brouder, Gianluca Panati, Gabriel Stoltz

Phys Rev Lett· December 2009

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Constant entropy sampling and release waves of shock compressions.
Jean-Bernard Maillet, Emeric Bourasseau, Laurent Soulard, Jean Clérouin, Gabriel Stoltz

Phys Rev E Stat Nonlin Soft Matter Phys· August 2009

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Computation of free energy profiles with parallel adaptive dynamics.
Tony Lelièvre, Mathias Rousset, Gabriel Stoltz

J Chem Phys· April 2007

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The effective local potential method: implementation for molecules and relation to approximate optimized effective potential techniques.
Artur F Izmaylov, Viktor N Staroverov, Gustavo E Scuseria, Ernest R Davidson, Gabriel Stoltz

J Chem Phys· February 2007

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An efficient sampling algorithm for variational Monte Carlo.
Anthony Scemama, Tony Lelièvre, Gabriel Stoltz, Eric Cancès, Michel Caffarel

J Chem Phys· September 2006

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The electronic ground-state energy problem: a new reduced density matrix approach.
Eric Cancès, Gabriel Stoltz, Mathieu Lewin

J Chem Phys· August 2006

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