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Journal Articles

Newton’s algorithm for discrete classical dynamics

Søren Toxvaerd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 024107 (2025)
https://doi.org/10.1063/5.0251514
Published: January 2025
View article titled, Newton’s algorithm for discrete classical dynamics
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Journal Articles

Active Brownian information engine: Self-propulsion induced colossal performance

Rafna Rafeek, Debasish Mondal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124116 (2024)
https://doi.org/10.1063/5.0229087
Published: September 2024
View article titled, Active Brownian information engine: Self-propulsion induced colossal performance
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Journal Articles

Classical and quantum thermodynamics in a non-equilibrium regime: Application to thermostatic Stirling engine

Shoki Koyanagi, Yoshitaka Tanimura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114113 (2024)
https://doi.org/10.1063/5.0220685
Published: September 2024
View article titled, Classical and quantum thermodynamics in a non-equilibrium regime: Application to thermostatic Stirling engine
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Journal Articles

Nanoclustering in non-ideal ethanol/heptane solutions alters solvation dynamics

Vivian F. Crum, Kevin J. Kubarych
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044507 (2024)
https://doi.org/10.1063/5.0216746
Published: July 2024
View article titled, Nanoclustering in non-ideal ethanol/heptane solutions alters solvation dynamics
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Journal Articles

Classical and quantum thermodynamics described as a system–bath model: The dimensionless minimum work principle

Editor’s Pick
Shoki Koyanagi, Yoshitaka Tanimura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234112 (2024)
https://doi.org/10.1063/5.0205771
Published: June 2024
View article titled, Classical and quantum thermodynamics described as a system–bath model: The dimensionless minimum work principle
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Journal Articles

Connection between partial pressure, volatility, and the Soret effect elucidated using simulations of nonideal supercritical fluid mixtures

Brandon Fields, Patrick K. Schelling
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084501 (2024)
https://doi.org/10.1063/5.0185603
Published: February 2024
View article titled, Connection between partial pressure, volatility, and the Soret effect elucidated using simulations of nonideal supercritical fluid mixtures
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Includes: Supplementary data
Journal Articles

A Nernst heat theorem for nonequilibrium jump processes

Faezeh Khodabandehlou, Christian Maes, Karel Netočný
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 204112 (2023)
https://doi.org/10.1063/5.0142694
Published: May 2023
View article titled, A Nernst heat theorem for nonequilibrium jump processes
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Journal Articles

Phase separation and dynamical arrest of protein solutions dominated by short-range attractions

Jan Hansen, Carolyn J. Moll, Leticia López Flores, Ramón Castañeda-Priego, Magdaleno Medina-Noyola, Stefan U. Egelhaaf, Florian Platten
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 024904 (2023)
https://doi.org/10.1063/5.0128643
Published: January 2023
View article titled, Phase separation and dynamical arrest of protein solutions dominated by short-range attractions
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Journal Articles

Thermodynamic modeling of fluid polyamorphism in hydrogen at extreme conditions

Nathaniel R. Fried, Thomas J. Longo, Mikhail A. Anisimov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 101101 (2022)
https://doi.org/10.1063/5.0107043
Published: September 2022
View article titled, Thermodynamic modeling of fluid polyamorphism in hydrogen at extreme conditions
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Journal Articles

Fluid–fluid phase transitions in a chiral molecular model

Yiming Wang, Frank H. Stillinger, Pablo G. Debenedetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084501 (2022)
https://doi.org/10.1063/5.0105851
Published: August 2022
View article titled, Fluid–fluid phase transitions in a chiral molecular model
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Includes: Supplementary data
Journal Articles

Nonequilibrium work distributions in quantum impurity system–bath mixing processes

Hong Gong, Yao Wang, Xiao Zheng, Rui–Xue Xu, YiJing Yan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 054109 (2022)
https://doi.org/10.1063/5.0095549
Published: August 2022
View article titled, Nonequilibrium work distributions in quantum impurity system–bath mixing processes
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Journal Articles

The laws of thermodynamics for quantum dissipative systems: A quasi-equilibrium Helmholtz energy approach

Shoki Koyanagi, Yoshitaka Tanimura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 014104 (2022)
https://doi.org/10.1063/5.0093666
Published: July 2022
View article titled, The laws of thermodynamics for quantum dissipative systems: A quasi-equilibrium Helmholtz energy approach
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Journal Articles

Modeling colloidal interactions that predict equilibrium and non-equilibrium states

Brian K. Ryu, Scott M. Fenton, Tuan T. D. Nguyen, Matthew E. Helgeson, Roseanna N. Zia
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 224101 (2022)
https://doi.org/10.1063/5.0086650
Published: June 2022
View article titled, Modeling colloidal interactions that predict equilibrium and non-equilibrium states
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Includes: Supplementary data
Journal Articles

Ferromagnetic nematics: A macroscopic two-fluid description

Harald Pleiner, Helmut R. Brand
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044504 (2022)
https://doi.org/10.1063/5.0080118
Published: January 2022
View article titled, Ferromagnetic nematics: A macroscopic two-fluid description
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Journal Articles

Hydrodynamic density functional theory for mixtures from a variational principle and its application to droplet coalescence

Rolf Stierle, Joachim Gross
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 134101 (2021)
https://doi.org/10.1063/5.0060088
Published: October 2021
View article titled, Hydrodynamic density functional theory for mixtures from a variational principle and its application to droplet coalescence
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Journal Articles

Comment on “Thermodiffusion: The physico-chemical mechanics view” [J. Chem. Phys. 154, 024112 (2021)]

Zi-Kui Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 087101 (2021)
https://doi.org/10.1063/5.0055842
Published: August 2021
View article titled, Comment on “Thermodiffusion: The physico-chemical mechanics view” [J. Chem. Phys. 154, 024112 (2021)]
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Journal Articles

Numerically “exact” simulations of entropy production in the fully quantum regime: Boltzmann entropy vs von Neumann entropy

Souichi Sakamoto, Yoshitaka Tanimura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 234107 (2020)
https://doi.org/10.1063/5.0033664
Published: December 2020
View article titled, Numerically “exact” simulations of entropy production in the fully quantum regime: Boltzmann entropy vs von Neumann entropy
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Journal Articles

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

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 article titled, Entropy production in model colloidal suspensions under shear via the fluctuation theorem
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Journal Articles

The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble

Caroline Desgranges, Jerome Delhommelle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 094114 (2020)
https://doi.org/10.1063/5.0021488
Published: September 2020
View article titled, The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble
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Journal Articles

A simple microswimmer model inspired by the general equation for nonequilibrium reversible–irreversible coupling

Andrés Córdoba, Jay D. Schieber, Tsutomu Indei
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 194902 (2020)
https://doi.org/10.1063/5.0003430
Published: May 2020
View article titled, A simple microswimmer model inspired by the general equation for nonequilibrium reversible–irreversible coupling
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Includes: Supplementary data