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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

Tutorial on the stochastic simulation of dissipative quantum oscillators

C. R. Hogg, J. Glatthard, F. Cerisola, J. Anders
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 071501 (2024)
https://doi.org/10.1063/5.0222528
Published: August 2024
View article titled, Tutorial on the stochastic simulation of dissipative quantum oscillators
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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

Probabilistic and maximum entropy modeling of chemical reaction systems: Characteristics and comparisons to mass action kinetic models

William R. Cannon, Samuel Britton, Mikahl Banwarth-Kuhn, Mark Alber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214123 (2024)
https://doi.org/10.1063/5.0180417
Published: June 2024
View article titled, Probabilistic and maximum entropy modeling of chemical reaction systems: Characteristics and comparisons to mass action kinetic models
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Journal Articles

Confinement effects of mandrel degradation in ICF target fabrication

Yue Xin, Xinrui Yang, Chenxi Wan, Rui Wang, Yu Zhu, Yong Yi, Zhanwen Zhang, Yongjian Tang, Qiang Chen, Zhigang Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164702 (2024)
https://doi.org/10.1063/5.0196688
Published: April 2024
View article titled, Confinement effects of mandrel degradation in ICF target fabrication
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Includes: Supplementary data
Journal Articles

A personal perspective of the present status and future challenges facing thermal reaction rate theory

Featured
Eli Pollak
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 150902 (2024)
https://doi.org/10.1063/5.0199557
Published: April 2024
View article titled, A personal perspective of the present status and future challenges facing thermal reaction rate theory
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Journal Articles

Tensor-SqRA: Modeling the transition rates of interacting molecular systems in terms of potential energies

Alexander Sikorski, Amir Niknejad, Marcus Weber, Luca Donati
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 104112 (2024)
https://doi.org/10.1063/5.0187792
Published: March 2024
View article titled, Tensor-SqRA: Modeling the transition rates of interacting molecular systems in terms of potential energies
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Journal Articles

Multidimensional uniform semiclassical instanton thermal rate theory

Eli Pollak
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 224107 (2023)
https://doi.org/10.1063/5.0182422
Published: December 2023
View article titled, Multidimensional uniform semiclassical instanton thermal rate theory
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Journal Articles

A new method for reactive constant pH simulations

Yan Levin, Amin Bakhshandeh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 111101 (2023)
https://doi.org/10.1063/5.0166840
Published: September 2023
View article titled, A new method for reactive constant pH simulations
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Journal Articles

Geometric approach to nonequilibrium hasty shortcuts

Supraja S. Chittari, Zhiyue Lu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 084106 (2023)
https://doi.org/10.1063/5.0157846
Published: August 2023
View article titled, Geometric approach to nonequilibrium hasty shortcuts
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Includes: Supplementary data
Journal Articles

Phase space perspective on a model for isomerization in an optical cavity

Subhadip Mondal, Srihari Keshavamurthy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 074106 (2023)
https://doi.org/10.1063/5.0160586
Published: August 2023
View article titled, Phase space perspective on a model for isomerization in an optical cavity
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Includes: Supplementary data
Journal Articles

Hidden singularities in spontaneously polarized molecular solids

Andrew Cassidy, Frank P. Pijpers, David Field
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 144501 (2023)
https://doi.org/10.1063/5.0138642
Published: April 2023
View article titled, Hidden singularities in spontaneously polarized molecular solids
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Includes: Supplementary data
Journal Articles

Ice phonon spectra and Bayes inference: A gateway to a new understanding of terahertz sound propagation in water

A. De Francesco, F. Formisano, L. Scaccia, E. Guarini, U. Bafile, A. Alatas, S. T. Lynch, A. Cunsolo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134509 (2023)
https://doi.org/10.1063/5.0141372
Published: April 2023
View article titled, Ice phonon spectra and Bayes inference: A gateway to a new understanding of terahertz sound propagation in water
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Includes: Supplementary data
Journal Articles

Onsager reciprocal relations and chemo-mechanical coupling for chemically active colloids

Marco De Corato, Ignacio Pagonabarraga
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084901 (2022)
https://doi.org/10.1063/5.0098425
Published: August 2022
View article titled, Onsager reciprocal relations and chemo-mechanical coupling for chemically active colloids
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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

Defining the temperature of an isolated molecule

Mario Barbatti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 204304 (2022)
https://doi.org/10.1063/5.0090205
Published: May 2022
View article titled, Defining the temperature of an isolated molecule
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Journal Articles

Moving boundary truncated grid method for electronic nonadiabatic dynamics

Chun-Yaung Lu, Tsung-Yen Lee, Chia-Chun Chou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044107 (2022)
https://doi.org/10.1063/5.0078909
Published: January 2022
View article titled, Moving boundary truncated grid method for electronic nonadiabatic dynamics
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Journal Articles

Mechanism of periodic field driven self-assembly process

Duo Xu, Rui Shi, Zhao-Yan Sun, Zhong-Yuan Lu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 144904 (2021)
https://doi.org/10.1063/5.0048072
Published: April 2021
View article titled, Mechanism of periodic field driven self-assembly process
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Journal Articles

The phase space distribution of confined fluids under shear is not fractal

Luca Maffioli, Nathan Clisby, Federico Frascoli, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 094116 (2021)
https://doi.org/10.1063/5.0039192
Published: March 2021
View article titled, The phase space distribution of confined fluids under shear is not fractal
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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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