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Reports on Progress in Physics. Physical Society (Great Britain)|July 10, 2025
The Dean-Kawasaki equation and stochastic density functional theoryPierre IllienThe Journal of Chemical Physics|December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hoppingAntoine Carof, Samuele Giannini, Jochen BlumbergerThe Journal of Physical Chemistry Letters|May 23, 2018
Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics SimulationSamuele Giannini, Antoine Carof, Jochen BlumbergerPhysical Chemistry Chemical Physics : PCCP|December 4, 2019
How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigmAntoine Carof, Samuele Giannini, Jochen BlumbergerThe Journal of Chemical Physics|April 16, 2024
Chemotactic particles as strong electrolytes: Debye-Hückel approximation and effective mobility lawPierre Illien, Ramin GolestanianJournal of Computational Chemistry|June 10, 2023
Hydration effects on the vibrational properties of carboxylates: From continuum models to QM/MM simulationsVishal Kumar Porwal, Antoine Carof, Francesca IngrossoFaraday Discussions|October 7, 2016
Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor systemJacob Spencer, Laura Scalfi, Antoine Carof, et al.The Journal of Chemical Physics|October 23, 2020
Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulationsBenjamin RotenbergChemical Society Reviews|April 7, 2017
'Fuelled' motion: phoretic motility and collective behaviour of active colloidsPierre Illien, Ramin Golestanian, Ayusman SenPhysical Review. E|May 19, 2021
Cumulant generating functions of a tracer in quenched dense symmetric exclusion processesAlexis Poncet, Olivier Bénichou, Pierre IllienPageof 13