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Journal Articles

Dynamic phases of synthetic bath at negative temperatures

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Guo-hao Xu, Jiarui Zeng, Yao Yao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164303 (2025)
https://doi.org/10.1063/5.0259817
Published: April 2025
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Journal Articles

Kinetically blocked self-assembly of colloidal strings with tunable interactions in magnetic fields

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Egor V. Yakovlev, Ivan V. Simkin, Anastasia A. Shirokova, Alexandra V. Kohanovskaya, Konstantin D. Gursky, Maksim A. Dragun, Artur D. Nasyrov, Stanislav O. Yurchenko, Nikita P. Kryuchkov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184907 (2024)
https://doi.org/10.1063/5.0231645
Published: November 2024
View articletitled, Kinetically blocked self-assembly of colloidal strings with tunable interactions in magnetic fields
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Journal Articles

Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range

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Nikita P. Kryuchkov, Artur D. Nasyrov, Ilya R. Denisenko, Stanislav O. Yurchenko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094505 (2024)
https://doi.org/10.1063/5.0213689
Published: September 2024
View articletitled, Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range
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Journal Articles

Ion solvation free energy calculations based on first-principles molecular dynamics thermodynamic integration

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Chao Lin, Xiaojun He, Cong Xi, Qianfan Zhang, Lin-Wang Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184115 (2024)
https://doi.org/10.1063/5.0191068
Published: May 2024
View articletitled, Ion solvation free energy calculations based on first-principles molecular dynamics thermodynamic integration
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Includes: Supplementary data
Journal Articles

Heat transport with a twist

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Ethan Abraham, Mohammadhasan Dinpajooh, Clàudia Climent, Abraham Nitzan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174904 (2023)
https://doi.org/10.1063/5.0171680
Published: November 2023
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Includes: Supplementary data
Journal Articles

Functionalized carbon nanocones performance in water harvesting

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Fernanda R.Leivas, Marcia C. Barbosa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 194702 (2023)
https://doi.org/10.1063/5.0142718
Published: May 2023
View articletitled, Functionalized carbon nanocones performance in water harvesting
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Journal Articles

Chemical reactivity under collective vibrational strong coupling

Open Access
Derek S. Wang, Johannes Flick, Susanne F. Yelin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 224304 (2022)
https://doi.org/10.1063/5.0124551
Published: December 2022
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Journal Articles

A random batch Ewald method for charged particles in the isothermal–isobaric ensemble

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Jiuyang Liang, Pan Tan, Liang Hong, Shi Jin, Zhenli Xu, Lei Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 144102 (2022)
https://doi.org/10.1063/5.0107140
Published: October 2022
View articletitled, A random batch Ewald method for charged particles in the isothermal–isobaric ensemble
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Includes: Supplementary data
Journal Articles

Annealing glasses by cyclic shear deformation

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Pallabi Das, Anshul D. S. Parmar, Srikanth Sastry
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 044501 (2022)
https://doi.org/10.1063/5.0100523
Published: August 2022
View articletitled, Annealing glasses by cyclic shear deformation
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Journal Articles

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

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

High suitability of tryptophan residues as a spectroscopic thermometer for local temperature in proteins under nonequilibrium conditions

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Satoshi Yamashita, Misao Mizuno, Yasuhisa Mizutani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 075101 (2022)
https://doi.org/10.1063/5.0079797
Published: February 2022
View articletitled, High suitability of tryptophan residues as a spectroscopic thermometer for local temperature in proteins under nonequilibrium conditions
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Includes: Supplementary data
Journal Articles

Is the water/Pt(111) interface ordered at room temperature?

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August E. G. Mikkelsen, Jakob Schiøtz, Tejs Vegge, Karsten W. Jacobsen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 224701 (2021)
https://doi.org/10.1063/5.0077580
Published: December 2021
View articletitled, Is the water/Pt(111) interface ordered at room temperature?
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Includes: Supplementary data
Journal Articles

Adaptive partitioning molecular dynamics using an extended Hamiltonian approach

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Jim Bachmann, Nikos L. Doltsinis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 144104 (2021)
https://doi.org/10.1063/5.0059206
Published: October 2021
View articletitled, Adaptive partitioning molecular dynamics using an extended Hamiltonian approach
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Includes: Supplementary data
Journal Articles

Density functional theory of superfluid helium at finite temperatures

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Austin Long, Jussi Eloranta
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 074102 (2021)
https://doi.org/10.1063/5.0060132
Published: August 2021
View articletitled, Density functional theory of superfluid helium at finite temperatures
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Journal Articles

Water on hydroxylated silica surfaces: Work of adhesion, interfacial entropy, and droplet wetting

Open Access
Carlos Bistafa, Donatas Surblys, Hiroki Kusudo, Yasutaka Yamaguchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 064703 (2021)
https://doi.org/10.1063/5.0056718
Published: August 2021
View articletitled, Water on hydroxylated silica surfaces: Work of adhesion, interfacial entropy, and droplet wetting
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Journal Articles

Flow-assisted self-healing of the helical structure in a cholesteric liquid crystal

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Jan-Christoph Eichler, Robert A. Skutnik, Marco G. Mazza, Martin Schoen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 054903 (2021)
https://doi.org/10.1063/5.0058745
Published: August 2021
View articletitled, Flow-assisted self-healing of the helical structure in a cholesteric liquid crystal
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Journal Articles

Single-parameter aging in a binary Lennard-Jones system

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Saeed Mehri, Trond S. Ingebrigtsen, Jeppe C. Dyre
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 094504 (2021)
https://doi.org/10.1063/5.0039250
Published: March 2021
View articletitled, Single-parameter aging in a binary Lennard-Jones system
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Journal Articles

Erratum: “From hard spheres and cubes to nonequilibrium maps with thirty-some years of thermostatted molecular dynamics” [J. Chem. Phys. 153, 070901 (2020)]

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William Graham Hoover, Carol Griswold Hoover
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 119901 (2020)
https://doi.org/10.1063/5.0025857
Published: September 2020
View articletitled, Erratum: “From hard spheres and cubes to nonequilibrium maps with thirty-some years of thermostatted molecular dynamics” [J. Chem. Phys. 153, 070901 (2020)]
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Journal Articles

Simulated annealing with adaptive cooling rates

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Mariia Karabin, Steven J. Stuart
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 114103 (2020)
https://doi.org/10.1063/5.0018725
Published: September 2020
View articletitled, Simulated annealing with adaptive cooling rates
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Journal Articles

Graphene-based temperature sensors suspended by anodic aluminum oxide

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J. Kim, T. Cui
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 084701 (2020)
https://doi.org/10.1063/5.0012877
Published: August 2020
View articletitled, Graphene-based temperature sensors suspended by anodic aluminum oxide
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