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Stemming from the IHP trimester "Stochastic Dynamics Out of
Equilibrium", this collection of contributions focuses on aspects
of nonequilibrium dynamics and its ongoing developments. It is
common practice in statistical mechanics to use models of large
interacting assemblies governed by stochastic dynamics. In this
context "equilibrium" is understood as stochastically (time)
reversible dynamics with respect to a prescribed Gibbs measure.
Nonequilibrium dynamics correspond on the other hand to
irreversible evolutions, where fluxes appear in physical systems,
and steady-state measures are unknown. The trimester, held at the
Institut Henri Poincare (IHP) in Paris from April to July 2017,
comprised various events relating to three domains (i) transport in
non-equilibrium statistical mechanics; (ii) the design of more
efficient simulation methods; (iii) life sciences. It brought
together physicists, mathematicians from many domains, computer
scientists, as well as researchers working at the interface between
biology, physics and mathematics. The present volume is
indispensable reading for researchers and Ph.D. students working in
such areas.
Stemming from the IHP trimester "Stochastic Dynamics Out of
Equilibrium", this collection of contributions focuses on aspects
of nonequilibrium dynamics and its ongoing developments. It is
common practice in statistical mechanics to use models of large
interacting assemblies governed by stochastic dynamics. In this
context "equilibrium" is understood as stochastically (time)
reversible dynamics with respect to a prescribed Gibbs measure.
Nonequilibrium dynamics correspond on the other hand to
irreversible evolutions, where fluxes appear in physical systems,
and steady-state measures are unknown. The trimester, held at the
Institut Henri Poincare (IHP) in Paris from April to July 2017,
comprised various events relating to three domains (i) transport in
non-equilibrium statistical mechanics; (ii) the design of more
efficient simulation methods; (iii) life sciences. It brought
together physicists, mathematicians from many domains, computer
scientists, as well as researchers working at the interface between
biology, physics and mathematics. The present volume is
indispensable reading for researchers and Ph.D. students working in
such areas.
This monograph provides a general introduction to advanced
computational methods for free energy calculations, from the
systematic and rigorous point of view of applied mathematics. Free
energy calculations in molecular dynamics have become an
outstanding and increasingly broad computational field in physics,
chemistry and molecular biology within the past few years, by
making possible the analysis of complex molecular systems. This
work proposes a new, general and rigorous presentation, intended
both for practitioners interested in a mathematical treatment, and
for applied mathematicians interested in molecular dynamics.
Readership: Graduate students and researchers in applied
mathematics, computational physics and computational chemistry
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