Michel Cuendet

Prof. Michel Cuendet

Centre Hospitalier Universitaire Vaudois, Lausanne, Suisse
+2
orcid

Research Focus & Metrics

Academic Career Length

21Years (2006-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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1 December 2021 in Cancer Treatment Reviews
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Journal Article
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CGCamille L. Gérard
Camille L. Gérard
JDJulie Delyon
Julie Delyon
AWA. Wicky
A. Wicky
KHK. Homicsko
K. Homicsko
Michel CuendetMichel Cuendet
Michel Cuendet
OMOlivier Michielin
Olivier Michielin

4 May 2018 in Science Advances
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Journal Article
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PMPatrick S. Merkle
Patrick S. Merkle
KGKamil Gotfryd
Kamil Gotfryd
Michel CuendetMichel Cuendet
Michel Cuendet
KLKatrine Z. Leth-Espensen
Katrine Z. Leth-Espensen
UGUlrik Gether
Ulrik Gether
KRKasper D. Rand
Kasper D. Rand
The substrate-modulated, partial unwinding of transmembrane helices may facilitate the release of Na + and substrate in LeuT.

25 January 2010 in Journal of Molecular Recognition
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VZVincent Zoete
Vincent Zoete
AGAurélien Grosdidier
Aurélien Grosdidier
Michel CuendetMichel Cuendet
Michel Cuendet
OMOlivier Michielin
Olivier Michielin

12 October 2006 in The Journal of Chemical Physics
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Michel CuendetMichel Cuendet
Michel Cuendet
The Jarzynski identity (JI) relates nonequilibrium work averages to thermodynamic free energy differences. It was shown in a recent contribution [M. A. Cuendet, Phys. Rev. Lett. 96, 120602 (2006)] that the JI can, in particular, be derived directly from the Nosé-Hoover thermostated dynamics. This statistical mechanical derivation is particularly relevant in the framework of molecular dynamics simulation, because it is based solely on the equations of motion considered and is free of any additional assumptions on system size or bath coupling. Here, this result is generalized to a variety of dynamics, along two directions. On the one hand, specific improved thermostating schemes used in practical applications are treated. These include Nosé-Hoover chains, higher moment thermostats, as well as an isothermal-isobaric scheme yielding the JI in the NPT ensemble. On the other hand, the theoretical generality of the new derivation is explored. Generic dynamics with arbitrary coupling terms and an arbitrary number of thermostating variables, both non-Hamiltonian and Hamiltonian, are shown to imply the JI. In particular, a nonautonomous formulation of the generalized Nosé-Poincaré thermostat is proposed. Finally, general conditions required for the JI derivation are briefly discussed.

14 December 2019 in Journal of Neuro-Oncology
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FMFilipe Martins
Filipe Martins
LSLuis Schiappacasse
Luis Schiappacasse
MLMarc Levivier
Marc Levivier
CTConstantin Tuleasca
Constantin Tuleasca
Michel CuendetMichel Cuendet
Michel Cuendet
OMOlivier Michielin
Olivier Michielin

31 March 2006 in Physical Review Letters
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Michel CuendetMichel Cuendet
Michel Cuendet
The recent Jarzynski identity (JI) relates thermodynamic free energy differences to nonequilibrium work averages. Several proofs of the JI have been provided on the thermodynamic level. They rely on assumptions such as equivalence of ensembles in the thermodynamic limit or weakly coupled infinite heat baths. However, the JI is widely applied to NVT computer simulations involving finite numbers of particles, whose equations of motion are strongly coupled to a few extra degrees of freedom modeling a thermostat. In this case, the above assumptions are no longer valid. We propose a statistical mechanical approach to the JI solely based on the specific equations of motion, without any further assumption. We provide a detailed derivation for the non-Hamiltonian Nosé-Hoover dynamics, which is routinely used in computer simulations to produce canonical sampling.