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Journal Articles

Single parameter aging and density scaling

Editor’s Pick
Tina Hecksher, Kristine Niss
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194504 (2024)
https://doi.org/10.1063/5.0234620
Published: November 2024
View article titled, Single parameter aging and density scaling
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Journal Articles

Modeling temperature-dependent transport properties in dissipative particle dynamics: A top-down coarse-graining toward realistic dynamics at the mesoscale

N. Lauriello, M. Lísal, G. Boccardo, D. Marchisio, A. Buffo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034112 (2024)
https://doi.org/10.1063/5.0207530
Published: July 2024
View article titled, Modeling temperature-dependent transport properties in dissipative particle dynamics: A top-down coarse-graining toward realistic dynamics at the mesoscale
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Journal Articles

Ionic transport through a bilayer nanoporous graphene with cationic and anionic functionalization

Chuxuan Ding, Jiaye Su
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174502 (2023)
https://doi.org/10.1063/5.0170313
Published: November 2023
View article titled, Ionic transport through a bilayer nanoporous graphene with cationic and anionic functionalization
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Includes: Supplementary data
Journal Articles

Permeability enhancement of Kv1.2 potassium channel by a terahertz electromagnetic field

Xiaofei Zhao, Wen Ding, Hongguang Wang, Yize Wang, Yanjiang Liu, Yongdong Li, Chunliang Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 045101 (2023)
https://doi.org/10.1063/5.0143648
Published: July 2023
View article titled, Permeability enhancement of Kv1.2 potassium channel by a terahertz electromagnetic field
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Journal Articles

Influence of water on the microscopic dynamics of 1-butyl-3-methylimidazolium tetrafluoroborate studied by means of quasielastic neutron scattering

Editor’s Pick
M. D. Ruiz-Martín, N. Qureshi, M. A. González, J. Ollivier, B. Frick, B. Farago
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 084505 (2022)
https://doi.org/10.1063/5.0082088
Published: February 2022
View article titled, Influence of water on the microscopic dynamics of 1-butyl-3-methylimidazolium tetrafluoroborate studied by means of quasielastic neutron scattering
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Includes: Supplementary data
Journal Articles

Local stress tensor calculation by the method-of-plane in microscopic systems with macroscopic flow: A formulation based on the velocity distribution function

Hiroki Kusudo, Takeshi Omori, Yasutaka Yamaguchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 184103 (2021)
https://doi.org/10.1063/5.0062889
Published: November 2021
View article titled, Local stress tensor calculation by the method-of-plane in microscopic systems with macroscopic flow: A formulation based on the velocity distribution function
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Journal Articles

Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation

Editor’s Pick
Hirad S. Salehi, H. Mert Polat, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Thijs J. H. Vlugt, Othonas A. Moultos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114504 (2021)
https://doi.org/10.1063/5.0062408
Published: September 2021
View article titled, Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation
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Includes: Supplementary data
Journal Articles

Effect of temperature on the coupling transport of water and ions through a carbon nanotube in an electric field

Shabbir Salman, Yunzhen Zhao, Xingke Zhang, Jiaye Su
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 184503 (2020)
https://doi.org/10.1063/5.0028077
Published: November 2020
View article titled, Effect of temperature on the coupling transport of water and ions through a carbon nanotube in an electric field
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Includes: Supplementary data
Journal Articles

Resistive amplitude fingerprints during translocation of linear molecules through charged solid-state nanopores

Sebastian Sensale, Ceming Wang, Hsueh-Chia Chang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 035102 (2020)
https://doi.org/10.1063/5.0013195
Published: July 2020
View article titled, Resistive amplitude fingerprints during translocation of linear molecules through charged solid-state nanopores
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Includes: Supplementary data
Journal Articles

The limited influence of transference number on the performance of nanoscale batteries

Kaitlyn A. Dwelle, Adam P. Willard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 074702 (2020)
https://doi.org/10.1063/1.5142613
Published: February 2020
View article titled, The limited influence of transference number on the performance of nanoscale batteries
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Journal Articles

Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid

Ryan Clark, Michael von Domaros, Alastair J. S. McIntosh, Alenka Luzar, Barbara Kirchner, Tom Welton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 164503 (2019)
https://doi.org/10.1063/1.5129367
Published: October 2019
View article titled, Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid
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Includes: Supplementary data
Journal Articles

Molecular dynamics simulation of ion mobility in gases

Rui Lai, Eric D. Dodds, Hui Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 064109 (2018)
https://doi.org/10.1063/1.4998955
Published: February 2018
View article titled, Molecular dynamics simulation of ion mobility in gases
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Includes: Supplementary data
Journal Articles

Simulation of a model nanopore sensor: Ion competition underlies device behavior

Eszter Mádai, Mónika Valiskó, András Dallos, Dezső Boda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 244702 (2017)
https://doi.org/10.1063/1.5007654
Published: December 2017
View article titled, Simulation of a model nanopore sensor: Ion competition underlies device behavior
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Journal Articles

Study of the upper-critical dimension of the East model through the breakdown of the Stokes-Einstein relation

Soree Kim, Dayton G. Thorpe, Chanwoo Noh, Juan P. Garrahan, David Chandler, YounJoon Jung
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 084504 (2017)
https://doi.org/10.1063/1.4999791
Published: August 2017
View article titled, Study of the upper-critical dimension of the East model through the breakdown of the Stokes-Einstein relation
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Journal Articles

Entropy facilitated active transport

J. M. Rubí, A. Lervik, D. Bedeaux, S. Kjelstrup
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 185101 (2017)
https://doi.org/10.1063/1.4982799
Published: May 2017
View article titled, Entropy facilitated active transport
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Journal Articles

Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search

L. V. Skripnikov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 214301 (2016)
https://doi.org/10.1063/1.4968229
Published: December 2016
View article titled, Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search
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Journal Articles

Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions

Gerhard Jung, Friederike Schmid
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 204104 (2016)
https://doi.org/10.1063/1.4950760
Published: May 2016
View article titled, Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions
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Journal Articles

Communication: Three-fold covariance imaging of laser-induced Coulomb explosions

James D. Pickering, Kasra Amini, Mark Brouard, Michael Burt, Ian J. Bush, Lauge Christensen, Alexandra Lauer, Jens H. Nielsen, Craig S. Slater, Henrik Stapelfeldt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 161105 (2016)
https://doi.org/10.1063/1.4947551
Published: April 2016
View article titled, Communication: Three-fold covariance imaging of laser-induced Coulomb explosions
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Journal Articles

Si-rich W silicide films composed of W-atom-encapsulated Si clusters deposited using gas-phase reactions of WF6 with SiH4

Naoya Okada, Noriyuki Uchida, Toshihiko Kanayama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 084703 (2016)
https://doi.org/10.1063/1.4942479
Published: February 2016
View article titled, Si-rich W silicide films composed of W-atom-encapsulated Si clusters deposited using gas-phase reactions of WF<sub>6</sub> with SiH<sub>4</sub>
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Journal Articles

An enhanced version of the heat exchange algorithm with excellent energy conservation properties

P. Wirnsberger, D. Frenkel, C. Dellago
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 124104 (2015)
https://doi.org/10.1063/1.4931597
Published: September 2015
View article titled, An enhanced version of the heat exchange algorithm with excellent energy conservation properties
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