| Publication | Date of Publication | Type |
|---|
Generative methods for sampling transition paths in molecular dynamics
ESAIM: Proceedings and Surveys | 2024-04-10 | Paper |
Extending the Regime of Linear Response with Synthetic Forcings
Multiscale Modeling & Simulation | 2023-12-13 | Paper |
Friction-adaptive descent: a family of dynamics-based optimization methods
Journal of Computational Dynamics | 2023-11-15 | Paper |
Mobility Estimation for Langevin Dynamics Using Control Variates
Multiscale Modeling & Simulation | 2023-09-01 | Paper |
Optimal importance sampling for overdamped Langevin dynamics
| 2023-07-11 | Paper |
Second order quantitative bounds for unadjusted generalized Hamiltonian Monte Carlo
| 2023-06-15 | Paper |
Multiple projection Markov chain Monte Carlo algorithms on submanifolds
IMA Journal of Numerical Analysis | 2023-04-12 | Paper |
Unbiasing Hamiltonian Monte Carlo algorithms for a general Hamiltonian function
| 2023-03-28 | Paper |
How to construct decay rates for kinetic Fokker--Planck equations?
| 2023-02-28 | Paper |
Error estimates and variance reduction for nonequilibrium stochastic dynamics
| 2022-11-19 | Paper |
Hypocoercivity with Schur complements
Annales Henri Lebesgue | 2022-05-10 | Paper |
Weighted \(L^2\)-contractivity of Langevin dynamics with singular potentials
Nonlinearity | 2022-01-11 | Paper |
More on the long time stability of Feynman-Kac semigroups
Stochastic and Partial Differential Equations. Analysis and Computations | 2021-12-27 | Paper |
Computational statistical physics and hypocoercivity
| 2021-12-15 | Paper |
Convergence of the likelihood ratio method for linear response of non-equilibrium stationary states
ESAIM: Mathematical Modelling and Numerical Analysis | 2021-09-15 | Paper |
Uniform minorization condition and convergence bounds for discretizations of kinetic Langevin dynamics
| 2021-07-30 | Paper |
Thermo-mechanical transport in rotor chains
Journal of Statistical Physics | 2021-07-07 | Paper |
Large deviations of empirical measures of diffusions in weighted topologies
Electronic Journal of Probability | 2021-05-04 | Paper |
Scaling limits for the generalized Langevin equation
Journal of Nonlinear Science | 2021-04-29 | Paper |
Coulomb gases under constraint: some theoretical and numerical results
SIAM Journal on Mathematical Analysis | 2021-01-13 | Paper |
Hypocoercivity properties of adaptive Langevin dynamics
SIAM Journal on Applied Mathematics | 2020-05-21 | Paper |
Multiple projection MCMC algorithms on submanifolds
| 2020-03-20 | Paper |
Correction to: ``Hybrid Monte Carlo methods for sampling probability measures on submanifolds
Numerische Mathematik | 2020-01-31 | Paper |
A reduced Hartree-Fock model of slice-like defects in the Fermi sea
Nonlinearity | 2019-11-25 | Paper |
Statistical Estimation of the Poincar{\'e} constant and Application to Sampling Multimodal Distributions
| 2019-10-28 | Paper |
Hybrid Monte Carlo methods for sampling probability measures on submanifolds
Numerische Mathematik | 2019-10-07 | Paper |
Error estimates on ergodic properties of discretized Feynman-Kac semigroups
Numerische Mathematik | 2019-10-07 | Paper |
A Perturbative Approach to Control Variates in Molecular Dynamics
Multiscale Modeling & Simulation | 2019-09-19 | Paper |
Convergence rates for nonequilibrium Langevin dynamics
Annales Mathématiques du Québec | 2019-06-20 | Paper |
Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure
Computer Methods in Applied Mechanics and Engineering | 2019-06-12 | Paper |
Spectral methods for Langevin dynamics and associated error estimates
ESAIM: Mathematical Modelling and Numerical Analysis | 2018-12-10 | Paper |
A mathematical justification of the finite time approximation of Becker-D\"oring equations by a Fokker-Planck dynamics
| 2018-10-02 | Paper |
Longtime convergence of the temperature-accelerated molecular dynamics method
Nonlinearity | 2018-07-23 | Paper |
Convergence and efficiency of adaptive importance sampling techniques with partial biasing
Journal of Statistical Physics | 2018-06-08 | Paper |
Langevin dynamics with general kinetic energies
Multiscale Modeling & Simulation | 2018-05-29 | Paper |
Stable and accurate schemes for smoothed dissipative particle dynamics
AMM. Applied Mathematics and Mechanics. (English Edition) | 2018-02-12 | Paper |
Stable schemes for dissipative particle dynamics with conserved energy
Journal of Computational Physics | 2017-12-15 | Paper |
An accurate scheme to solve cluster dynamics equations using a Fokker-Planck approach
Computer Physics Communications | 2017-12-05 | Paper |
Self-healing umbrella sampling: convergence and efficiency
Statistics and Computing | 2017-03-23 | Paper |
Error analysis of modified Langevin dynamics
Journal of Statistical Physics | 2016-10-13 | Paper |
A mathematical analysis of the GW\(^0\) method for computing electronic excited energies of molecules
Reviews in Mathematical Physics | 2016-07-15 | Paper |
Partial differential equations and stochastic methods in molecular dynamics
Acta Numerica | 2016-07-08 | Paper |
Robust determination of maximally-localized Wannier functions
| 2016-05-23 | Paper |
The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
IMA Journal of Numerical Analysis | 2016-03-11 | Paper |
Error analysis of the transport properties of metropolized schemes
ESAIM: Proceedings and Surveys | 2016-02-10 | Paper |
Nonlinear fluctuating hydrodynamics in one dimension: the case of two conserved fields
Journal of Statistical Physics | 2015-10-28 | Paper |
Langevin dynamics with space-time periodic nonequilibrium forcing
Journal of Statistical Physics | 2015-07-24 | Paper |
Convergence of the Wang-Landau algorithm
Mathematics of Computation | 2015-07-20 | Paper |
Efficiency of the Wang-Landau algorithm: a simple test case
AMRX. Applied Mathematics Research eXpress | 2014-11-05 | Paper |
Derivation of Langevin dynamics in a nonzero background flow field
ESAIM: Mathematical Modelling and Numerical Analysis | 2014-02-24 | Paper |
Langevin dynamics with constraints and computation of free energy differences
Mathematics of Computation | 2013-07-17 | Paper |
A mathematical formulation of the random phase approximation for crystals
Annales de l'Institut Henri Poincaré. Analyse Non Linéaire | 2013-04-22 | Paper |
Free energy methods for Bayesian inference: efficient exploration of univariate Gaussian mixture posteriors
Statistics and Computing | 2012-12-07 | Paper |
Nonequilibrium shear viscosity computations with Langevin dynamics
Multiscale Modeling \& Simulation | 2012-08-30 | Paper |
The microscopic origin of the macroscopic dielectric permittivity of crystals: A mathematical viewpoint
Numerical Analysis of Multiscale Computations | 2012-07-10 | Paper |
Anomalous diffusion for a class of systems with two conserved quantities
Nonlinearity | 2012-05-07 | Paper |
Gell-Mann and low formula for degenerate unperturbed states
Annales Henri Poincaré | 2011-02-14 | Paper |
Thermal conductivity of the Toda lattice with conservative noise
Journal of Statistical Physics | 2010-09-16 | Paper |
Free energy computations. A mathematical perspective
| 2010-05-17 | Paper |
The many-body Green function of degenerate systems
| 2009-06-11 | Paper |
Local exchange potentials for electronic structure calculations
MathematicS In Action | 2009-05-29 | Paper |
Sampling Constraints in Average: The Example of Hugoniot Curves
Applied Mathematics Research eXpress | 2009-02-24 | Paper |
Adiabatic approximation, Gell-Mann and Low theorem and degeneracies: A pedagogical example
| 2008-07-26 | Paper |
Long-time convergence of an adaptive biasing force method
Nonlinearity | 2008-06-24 | Paper |
Some remarks on sampling methods in Molecular Dynamics
ESAIM: Proceedings | 2008-04-14 | Paper |
Theoretical and numerical comparison of some sampling methods for molecular dynamics
ESAIM: Mathematical Modelling and Numerical Analysis | 2008-03-20 | Paper |
Path sampling with stochastic dynamics: some new algorithms
Journal of Computational Physics | 2007-09-14 | Paper |
Computation of free energy differences through nonequilibrium stochastic dynamics: The reaction coordinate case
Journal of Computational Physics | 2007-04-16 | Paper |
Equilibrium sampling from nonequilibrium dynamics
Journal of Statistical Physics | 2006-11-27 | Paper |
Shock waves in an augmented one-dimensional atom chain
Nonlinearity | 2005-11-14 | Paper |
The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach
| N/A | Paper |
A spectral approach to the narrow escape problem in the disk
| N/A | Paper |
Optimizing the diffusion coefficient of overdamped Langevin dynamics
| N/A | Paper |
