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Journal Articles

Electrophoresis of ions and electrolyte conductivity: From bulk to nanochannels

Olga I. Vinogradova, Elena F. Silkina
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174707 (2023)
https://doi.org/10.1063/5.0168557
Published: November 2023
View article titled, Electrophoresis of ions and electrolyte conductivity: From bulk to nanochannels
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Journal Articles

Variational field theory of macroscopic forces in coulomb fluids

Yury A. Budkov, Petr E. Brandyshev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174103 (2023)
https://doi.org/10.1063/5.0169795
Published: November 2023
View article titled, Variational field theory of macroscopic forces in coulomb fluids
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Journal Articles

A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model

Rae A. Corrigan, Andrew C. Thiel, Jack R. Lynn, Thomas L. Casavant, Pengyu Ren, Jay W. Ponder, Michael J. Schnieders
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054102 (2023)
https://doi.org/10.1063/5.0158914
Published: August 2023
View article titled, A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model
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Includes: Supplementary data
Journal Articles

The nanofluidic capacitor: Differential capacitance in the absence of reservoirs

Mpumelelo Matse, Peter Berg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164702 (2023)
https://doi.org/10.1063/5.0132546
Published: April 2023
View article titled, The nanofluidic capacitor: Differential capacitance in the absence of reservoirs
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Journal Articles

Ion filling of a one-dimensional nanofluidic channel in the interaction confinement regime

Paul Robin, Adrien Delahais, Lydéric Bocquet, Nikita Kavokine
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124703 (2023)
https://doi.org/10.1063/5.0142110
Published: March 2023
View article titled, Ion filling of a one-dimensional nanofluidic channel in the interaction confinement regime
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Journal Articles

Linear scaling computation of forces for the domain-decomposition linear Poisson–Boltzmann method

Abhinav Jha, Michele Nottoli, Aleksandr Mikhalev, Chaoyu Quan, Benjamin Stamm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 104105 (2023)
https://doi.org/10.1063/5.0141025
Published: March 2023
View article titled, Linear scaling computation of forces for the domain-decomposition linear Poisson–Boltzmann method
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Journal Articles

The electrostatic potential inside and around α-lactalbumin: Fluctuations and mean-field models

Paola B. Torres, Pablo M. Blanco, Josep L. Garcés, Claudio F. Narambuena
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 205101 (2022)
https://doi.org/10.1063/5.0122275
Published: November 2022
View article titled, The electrostatic potential inside and around α-lactalbumin: Fluctuations and mean-field models
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Includes: Supplementary data
Journal Articles

Structural and electrostatic properties between pH-responsive polyelectrolyte brushes studied by augmented strong stretching theory

Jun-Sik Sin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084902 (2022)
https://doi.org/10.1063/5.0097783
Published: August 2022
View article titled, Structural and electrostatic properties between pH-responsive polyelectrolyte brushes studied by augmented strong stretching theory
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Journal Articles

Modified Poisson–Boltzmann theory for polyelectrolytes in monovalent salt solutions with finite-size ions

Hossein Vahid, Alberto Scacchi, Xiang Yang, Tapio Ala-Nissila, Maria Sammalkorpi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 214906 (2022)
https://doi.org/10.1063/5.0092273
Published: June 2022
View article titled, Modified Poisson–Boltzmann theory for polyelectrolytes in monovalent salt solutions with finite-size ions
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Includes: Supplementary data
Journal Articles

Thermodynamics of electrolyte solutions near charged surfaces: Constant surface charge vs constant surface potential

Dorian Bruch, Christopher Balzer, Zhen-Gang Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 174704 (2022)
https://doi.org/10.1063/5.0089260
Published: May 2022
View article titled, Thermodynamics of electrolyte solutions near charged surfaces: Constant surface charge vs constant surface potential
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Journal Articles

Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson–Boltzmann equation model

Sergii V. Siryk, Artemi Bendandi, Alberto Diaspro, Walter Rocchia
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114114 (2021)
https://doi.org/10.1063/5.0056120
Published: September 2021
View article titled, Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson–Boltzmann equation model
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Journal Articles

Ultrathin space charge layer in hematite photoelectrodes: A theoretical investigation

P. A. Delcompare-Rodriguez, N. Seriani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114701 (2021)
https://doi.org/10.1063/5.0060417
Published: September 2021
View article titled, Ultrathin space charge layer in hematite photoelectrodes: A theoretical investigation
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Includes: Supplementary data
Journal Articles

Dipolar Poisson models in a dual view

Hélène Berthoumieux, Geoffrey Monet, Ralf Blossey
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 024112 (2021)
https://doi.org/10.1063/5.0056430
Published: July 2021
View article titled, Dipolar Poisson models in a dual view
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Journal Articles

Electrochemistry from first-principles in the grand canonical ensemble

Arihant Bhandari, Chao Peng, Jacek Dziedzic, Lucian Anton, John R. Owen, Denis Kramer, Chris-Kriton Skylaris
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 024114 (2021)
https://doi.org/10.1063/5.0056514
Published: July 2021
View article titled, Electrochemistry from first-principles in the grand canonical ensemble
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Journal Articles

Ion transport in nanopores with highly overlapping electric double layers

Yoav Green
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 084705 (2021)
https://doi.org/10.1063/5.0037873
Published: February 2021
View article titled, Ion transport in nanopores with highly overlapping electric double layers
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Journal Articles

Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces

Arihant Bhandari, Lucian Anton, Jacek Dziedzic, Chao Peng, Denis Kramer, Chris-Kriton Skylaris
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 124101 (2020)
https://doi.org/10.1063/5.0021210
Published: September 2020
View article titled, Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
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Journal Articles

Electrostatic pair-interaction of nearby metal or metal-coated colloids at fluid interfaces

Rick Bebon, Arghya Majee
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 044903 (2020)
https://doi.org/10.1063/5.0013298
Published: July 2020
View article titled, Electrostatic pair-interaction of nearby metal or metal-coated colloids at fluid interfaces
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Journal Articles

Critical behavior of charge-regulated macro-ions

Yael Avni, Rudolf Podgornik, David Andelman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 024901 (2020)
https://doi.org/10.1063/5.0011623
Published: July 2020
View article titled, Critical behavior of charge-regulated macro-ions
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Journal Articles

Asymmetric double-layer charging in a cylindrical nanopore under closed confinement

Mpumelelo Matse, Peter Berg, Michael Eikerling
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 084103 (2020)
https://doi.org/10.1063/1.5139541
Published: February 2020
View article titled, Asymmetric double-layer charging in a cylindrical nanopore under closed confinement
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Journal Articles

Implicit self-consistent electrolyte model in plane-wave density-functional theory

Kiran Mathew, V. S. Chaitanya Kolluru, Srinidhi Mula, Stephan N. Steinmann, Richard G. Hennig
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 234101 (2019)
https://doi.org/10.1063/1.5132354
Published: December 2019
View article titled, Implicit self-consistent electrolyte model in plane-wave density-functional theory
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