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Journal Articles

Boltzmann’s H-function for molecules with orientational degrees of freedom: Emergence of unique features

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Shubham Kumar, Biman Bagchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064504 (2024)
https://doi.org/10.1063/5.0220521
Published: August 2024
View articletitled, Boltzmann’s H-function for molecules with orientational degrees of freedom: Emergence of unique features
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Journal Articles

Forced extension of a wormlike chain in the Gibbs and Helmholtz ensembles

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Nigel T. Andersen, Jeff Z. Y. Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084903 (2024)
https://doi.org/10.1063/5.0191727
Published: February 2024
View articletitled, Forced extension of a wormlike chain in the Gibbs and Helmholtz ensembles
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Journal Articles

Phase lines in mean-field models with nonuniform external forces

Open Access
Roni Kroll, Yoav Tsori
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 231103 (2022)
https://doi.org/10.1063/5.0129110
Published: December 2022
View articletitled, Phase lines in mean-field models with nonuniform external forces
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Journal Articles

Geometric Brownian information engine: Upper bound of the achievable work under feedback control

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Syed Yunus Ali, Rafna Rafeek, Debasish Mondal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 014902 (2022)
https://doi.org/10.1063/5.0069582
Published: January 2022
View articletitled, Geometric Brownian information engine: Upper bound of the achievable work under feedback control
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Journal Articles

Viscuit and the fluctuation theorem investigation of shear viscosity by molecular dynamics simulations: The information and the noise

Open Access
D. M. Heyes, D. Dini, E. R. Smith
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 074503 (2021)
https://doi.org/10.1063/5.0040106
Published: February 2021
View articletitled, Viscuit and the fluctuation theorem investigation of shear viscosity by molecular dynamics simulations: The information and the noise
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Includes: Supplementary data
Journal Articles

Entropy production in model colloidal suspensions under shear via the fluctuation theorem

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Caroline Desgranges, Jerome Delhommelle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 224113 (2020)
https://doi.org/10.1063/5.0025954
Published: December 2020
View articletitled, Entropy production in model colloidal suspensions under shear via the fluctuation theorem
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Journal Articles

Single trajectory transport coefficients and the energy landscape by molecular dynamics simulations

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D. M. Heyes, D. Dini, E. R. Smith
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 194504 (2020)
https://doi.org/10.1063/5.0005600
Published: May 2020
View articletitled, Single trajectory transport coefficients and the energy landscape by molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Thermodynamics of switching in multistable non-equilibrium systems

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Jacob Cook, Robert G. Endres
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 054108 (2020)
https://doi.org/10.1063/1.5140536
Published: February 2020
View articletitled, Thermodynamics of switching in multistable non-equilibrium systems
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Includes: Supplementary data
Journal Articles

Theory of applying heat flow from thermostatted boundary walls: Dissipative and local-equilibrium responses and fluctuation theorems

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Akira Onuki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 134118 (2019)
https://doi.org/10.1063/1.5110877
Published: October 2019
View articletitled, Theory of applying heat flow from thermostatted boundary walls: Dissipative and local-equilibrium responses and fluctuation theorems
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Journal Articles

Effects of noise-induced coherence on the fluctuations of current in quantum absorption refrigerators

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Viktor Holubec, Tomáš Novotný
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 044108 (2019)
https://doi.org/10.1063/1.5096275
Published: July 2019
View articletitled, Effects of noise-induced coherence on the fluctuations of current in quantum absorption refrigerators
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Journal Articles

The generalized Boltzmann distribution is the only distribution in which the Gibbs-Shannon entropy equals the thermodynamic entropy

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Xiang Gao, Emilio Gallicchio, Adrian E. Roitberg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 034113 (2019)
https://doi.org/10.1063/1.5111333
Published: July 2019
View articletitled, The generalized Boltzmann distribution is the only distribution in which the Gibbs-Shannon entropy equals the thermodynamic entropy
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Journal Articles

Breakdown of the scallop theorem for an asymmetrical folding molecular motor in soft matter

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Victor Teboul, Gabriel Rajonson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 144502 (2019)
https://doi.org/10.1063/1.5086267
Published: April 2019
View articletitled, Breakdown of the scallop theorem for an asymmetrical folding molecular motor in soft matter
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Journal Articles

Incremental viscosity by non-equilibrium molecular dynamics and the Eyring model

Editor’s PickOpen Access
D. M. Heyes, D. Dini, E. R. Smith
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 194506 (2018)
https://doi.org/10.1063/1.5027681
Published: May 2018
View articletitled, Incremental viscosity by non-equilibrium molecular dynamics and the Eyring model
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Includes: Supplementary data
Journal Articles

Large deviation theory for the kinetics and energetics of turnover of enzyme catalysis in a chemiostatic flow

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Biswajit Das, Gautam Gangopadhyay
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 174104 (2018)
https://doi.org/10.1063/1.5011786
Published: May 2018
View articletitled, Large deviation theory for the kinetics and energetics of turnover of enzyme catalysis in a chemiostatic flow
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Journal Articles

Improved free-energy landscape reconstruction of bacteriorhodopsin highlights local variations in unfolding energy

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Patrick R. Heenan, Hao Yu, Matthew G. W. Siewny, Thomas T. Perkins
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 123313 (2018)
https://doi.org/10.1063/1.5009108
Published: December 2017
View articletitled, Improved free-energy landscape reconstruction of bacteriorhodopsin highlights local variations in unfolding energy
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Includes: Supplementary data
Journal Articles

Communication: Mechanochemical fluctuation theorem and thermodynamics of self-phoretic motors

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Pierre Gaspard, Raymond Kapral
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 211101 (2017)
https://doi.org/10.1063/1.5008562
Published: December 2017
View articletitled, Communication: Mechanochemical fluctuation theorem and thermodynamics of self-phoretic motors
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Journal Articles

AC transport and full-counting statistics of molecular junctions in the weak electron-vibration coupling regime

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A. Ueda, Y. Utsumi, Y. Tokura, O. Entin-Wohlman, A. Aharony
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 092313 (2017)
https://doi.org/10.1063/1.4973707
Published: January 2017
View articletitled, AC transport and full-counting statistics of molecular junctions in the weak electron-vibration coupling regime
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Journal Articles

C –IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids

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Tiago E. de Oliveira, Paulo A. Netz, Kurt Kremer, Christoph Junghans, Debashish Mukherji
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 174106 (2016)
https://doi.org/10.1063/1.4947253
Published: May 2016
View articletitled, C –IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids
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Journal Articles

Dissipation in monotonic and non-monotonic relaxation to equilibrium

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Charlotte F. Petersen, Denis J. Evans, Stephen R. Williams
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 074107 (2016)
https://doi.org/10.1063/1.4941584
Published: February 2016
View articletitled, Dissipation in monotonic and non-monotonic relaxation to equilibrium
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Journal Articles

Thermodynamics of the polaron master equation at finite bias

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Thilo Krause, Tobias Brandes, Massimiliano Esposito, Gernot Schaller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 134106 (2015)
https://doi.org/10.1063/1.4916359
Published: April 2015
View articletitled, Thermodynamics of the polaron master equation at finite bias
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