Publications (43)
Adiabatic approximation, Gell-Mann and Low theorem and degeneracies: A pedagogical example
Christian Brouder, Gabriel Stoltz, Gianluca Panati
Computation of free energy differences through nonequilibrium stochastic dynamics: the reaction coordinate case
Tony Lelievre, Mathias Rousset, Gabriel Stoltz
The Microscopic Origin of the Macroscopic Dielectric Permittivity of Crystals: A Mathematical Viewpoint
Eric Cancès, Mathieu Lewin, Gabriel Stoltz
Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure
Ignacio Tejada, Laurent Brochard, Tony Lelievre +3
Sampling constraints in average: The example of Hugoniot curves
Jean-Bernard Maillet, Gabriel Stoltz
The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach
Eric Cances, Gabriel Stoltz, Mathieu Lewin
Convergence of the Wang-Landau algorithm
Gersende Fort, Benjamin Jourdain, Estelle Kuhn +2
Nonequilibrium shear viscosity computations with Langevin dynamics
Remi Joubaud, Gabriel Stoltz
Anomalous diffusion for a class of systems with two conserved quantities
Cédric Bernardin, Gabriel Stoltz
Long-time convergence of an Adaptive Biasing Force method
Tony Lelievre, Felix Otto, Mathias Rousset +1
Local density dependent potential for compressible mesoparticles
Gerome Faure, Jean-Bernard Maillet, Gabriel Stoltz
A mathematical justification of the finite time approximation of Becker-Döring equations by a Fokker-Planck dynamics
Gabriel Stoltz, Pierre Terrier
Path sampling with Stochastic Dynamics: Some new Algorithms
Gabriel Stoltz
Stable and accurate schemes for smoothed dissipative particle dynamics
Gérôme Faure, Gabriel Stoltz
Thermal conductivity of the Toda lattice with conservative noise
Alessandra Iacobucci, Frederic Legoll, Stefano Olla +1
Langevin dynamics with general kinetic energies
Gabriel Stoltz, Zofia Trstanova
Free energy calculations: An efficient adaptive biasing potential method
Bradley M. Dickson, Frederic Legoll, Tony Lelievre +2
Gell-Mann and Low formula for degenerate unperturbed states
Christian Brouder, Gianluca Panati, Gabriel Stoltz
Local Exchange Potentials for Electronic Structure Calculations
Eric Cances, Gabriel Stoltz, Gustavo E. Scuseria +2
Longtime convergence of the Temperature-Accelerated Molecular Dynamics Method
Gabriel Stoltz, Eric Vanden-Eijnden
Cluster dynamics modelling of materials: a new hybrid deterministic/stochastic coupling approach
Pierre Terrier, Manuel Athènes, Thomas Jourdan +2
The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
Benedict Leimkuhler, Charles Matthews, Gabriel Stoltz
Nonlinear Fluctuating Hydrodynamics in One Dimension: the Case of Two Conserved Fields
Herbert Spohn, Gabriel Stoltz
Reducing the thermal conductivity of carbon nanotubes below the random isotope limit
Gabriel Stoltz, Natalio Mingo, Francesco Mauri
The many-body Green function of degenerate systems
Christian Brouder, Gianluca Panati, Gabriel Stoltz
An accurate scheme to solve cluster dynamics equations using a Fokker-Planck approach
Thomas Jourdan, Gabriel Stoltz, Frédéric Legoll +1
Permutation-invariant distance between atomic configurations
Gregoire Ferre, Jean-Bernard Maillet, Gabriel Stoltz
An efficient sampling algorithm for Variational Monte Carlo
Anthony Scemama, Tony Lelièvre, Gabriel Stoltz +2
Microscopic calculations of Hugoniot curves of neat TATB and of its detonation products
Emeric Bourasseau, Jean-Bernard Maillet, Nicolas Desbiens +1
Derivation of Langevin Dynamics in a Nonzero Background Flow Field
Matthew Dobson, Frédéric Legoll, Tony Lelièvre +1
A mathematical formulation of the random phase approximation for crystals
Eric Cances, Gabriel Stoltz
Langevin dynamics with constraints and computation of free energy differences
Tony Lelievre, Mathias Rousset, Gabriel Stoltz
Robust determination of maximally-localized Wannier functions
Ãric Cancès, Antoine Levitt, Gianluca Panati +1
Thermal transport in isotopically disordered carbon nanotubes
Gabriel Stoltz, Michele Lazzeri, Francesco Mauri
Negative thermal conductivity of chains of rotors with mechanical forcing
Alessandra Iacobucci, Frederic Legoll, Stefano Olla +1
Computation of free energy profiles with parallel adaptive dynamics
Tony Lelievre, Mathias Rousset, Gabriel Stoltz
Convergence rates for nonequilibrium Langevin dynamics
Alessandra Iacobucci, Stefano Olla, Gabriel Stoltz
Constant entropy sampling and release waves of shock compressions
Jean-Bernard Maillet, Emeric Bourasseau, Laurent Soulard +2
Convergence and efficiency of adaptive importance sampling techniques with partial biasing
Gersende Fort, Benjamin Jourdain, Tony Lelièvre +1
Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting
Lingling Cao, Gabriel Stoltz, Tony Lelièvre +2
Equilibrium Sampling From Nonequilibrium Dynamics
Mathias Rousset, Gabriel Stoltz
Free Energy Methods for Bayesian Inference: Efficient Exploration of Univariate Gaussian Mixture Posteriors
Nicolas Chopin, Tony Lelievre, Gabriel Stoltz
A reduced model for shock and detonation waves. II. The reactive case
Jean-Bernard Maillet, Laurent Soulard, Gabriel Stoltz