Publications by authors named "Manuel Athenes"

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Publisher's Note: "Work-biased path-sampling calculations of chemical potentials: Principles and applications to uranium oxide" [J. Chem. Phys. 162, 024108 (2025)].
Orane Barbour, Jean-Paul Crocombette, Theo Beigbeder, Julien Tranchida, Emeric Bourasseau

J Chem Phys· March 2025

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Work-biased path-sampling calculations of chemical potentials: Principles and applications to uranium oxide.
Orane Barbour, Jean-Paul Crocombette, Theo Beigbedder, Julien Tranchida, Manuel Athènes

J Chem Phys· January 2025

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Estimating thermodynamic expectations and free energies in expanded ensemble simulations: Systematic variance reduction through conditioning.
Manuel Athènes, Pierre Terrier

J Chem Phys· May 2017

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Using Bayes formula to estimate rates of rare events in transition path sampling simulations.
Pierre Terrier, Mihai-Cosmin Marinica, Manuel Athènes

J Chem Phys· October 2015

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Path factorization approach to stochastic simulations.
Manuel Athènes, Vasily V Bulatov

Phys Rev Lett· December 2014

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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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Estimating time-correlation functions by sampling and unbiasing dynamically activated events.
Manuel Athènes, Mihai-Cosmin Marinica, Thomas Jourdan

J Chem Phys· November 2012

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Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?
Jihan Kim, Jocelyn M Rodgers, Manuel Athènes, Berend Smit

J Chem Theory Comput· October 2011

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Simulating structural transitions by direct transition current sampling: the example of LJ38.
Massimiliano Picciani, Manuel Athènes, Jorge Kurchan, Julien Tailleur

J Chem Phys· July 2011

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Waste-recycling Monte Carlo with optimal estimates: application to free energy calculations in alloys.
Gilles Adjanor, Manuel Athènes, Jocelyn M Rodgers

J Chem Phys· July 2011

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Multiple-replica exchange with information retrieval.
Manuel Athènes, Florent Calvo

Chemphyschem· November 2008

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Measurement of nonequilibrium entropy from space-time thermodynamic integration.
Manuel Athènes, Gilles Adjanor

J Chem Phys· July 2008

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