1-20 of 1149
Dielectric properties
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Polarization of ethanol under thermal fields

Open Access
Guansen Zhao, Yaxuan Xiao, Angad Deshmukh, Aidan Chapman, Fernando Bresme
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024501 (2025)
https://doi.org/10.1063/5.0279464
Published: July 2025
View articletitled, Polarization of ethanol under thermal fields
Open the PDF for Polarization of ethanol under thermal fields in another window
Journal Articles

Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer

Open Access
Nils Bruch, Tobias Binninger, Jun Huang, Michael Eikerling
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 224703 (2025)
https://doi.org/10.1063/5.0250135
Published: June 2025
View articletitled, Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer
Open the PDF for Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer in another window
Journal Articles

Static and dynamic theory of polarization under internal and directing electric fields: Fixed-charge and fixed-potential conditions

Available to Purchase
Akira Onuki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 214105 (2025)
https://doi.org/10.1063/5.0263487
Published: June 2025
View articletitled, Static and dynamic theory of polarization under internal and directing electric fields: Fixed-charge and fixed-potential conditions
Open the PDF for Static and dynamic theory of polarization under internal and directing electric fields: Fixed-charge and fixed-potential conditions in another window
Journal Articles

Mitigation of the confinement-induced dielectric constant reduction via binary mixing strategy for energy storage applications

Available to Purchase
Yiyue He, Zemeng Feng, Zhaogang Peng, Xiaorong Shi, Xiangrui Meng, Min Lu, Kui Xu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194706 (2025)
https://doi.org/10.1063/5.0267184
Published: May 2025
View articletitled, Mitigation of the confinement-induced dielectric constant reduction via binary mixing strategy for energy storage applications
Open the PDF for Mitigation of the confinement-induced dielectric constant reduction via binary mixing strategy for energy storage applications in another window
Journal Articles

Explicitly accounting for background charges in a fast multipole method to simulate periodically replicated non neutral microscopic systems

Available to Purchase
Bar Collignon, Michel Masella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194102 (2025)
https://doi.org/10.1063/5.0266358
Published: May 2025
View articletitled, Explicitly accounting for background charges in a fast multipole method to simulate periodically replicated non neutral microscopic systems
Open the PDF for Explicitly accounting for background charges in a fast multipole method to simulate periodically replicated non neutral microscopic systems in another window
Journal Articles

Thermodynamic insights into polyelectrolyte complexation: A theoretical framework

Available to Purchase
Souradeep Ghosh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164904 (2025)
https://doi.org/10.1063/5.0250546
Published: April 2025
View articletitled, Thermodynamic insights into polyelectrolyte complexation: A theoretical framework
Open the PDF for Thermodynamic insights into polyelectrolyte complexation: A theoretical framework in another window
Journal Articles

Tuning partial charges of alkyl alcohols to improve simulated fluid properties

Available to Purchase
Elizabeth Long, Bolton Tran, Scott T. Milner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154504 (2025)
https://doi.org/10.1063/5.0263316
Published: April 2025
View articletitled, Tuning partial charges of alkyl alcohols to improve simulated fluid properties
Open the PDF for Tuning partial charges of alkyl alcohols to improve simulated fluid properties in another window
Journal Articles

What does an ion feel at the electrochemical interface? Revisiting electrosorption through nonlocal electrostatics

Open Access
Jonathan G. Hedley, Kavin K. Bhatt, Hélène Berthoumieux, Alexei A. Kornyshev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114703 (2025)
https://doi.org/10.1063/5.0254033
Published: March 2025
View articletitled, What does an ion feel at the electrochemical interface? Revisiting electrosorption through nonlocal electrostatics
Open the PDF for What does an ion feel at the electrochemical interface? Revisiting electrosorption through nonlocal electrostatics in another window
Journal Articles

Surface polarization strongly influences electrostatics in a nonlocal medium

Open Access
Ali Behjatian, Ralf Blossey, Madhavi Krishnan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 064901 (2025)
https://doi.org/10.1063/5.0244917
Published: February 2025
View articletitled, Surface polarization strongly influences electrostatics in a nonlocal medium
Open the PDF for Surface polarization strongly influences electrostatics in a nonlocal medium in another window
Journal Articles

Cavity correlations and the onset of charge ordering at charged interfaces: A modified Poisson–Fermi approach

Available to Purchase
Otávio David Braga, Thiago Colla
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 034110 (2025)
https://doi.org/10.1063/5.0240131
Published: January 2025
View articletitled, Cavity correlations and the onset of charge ordering at charged interfaces: A modified Poisson–Fermi approach
Open the PDF for Cavity correlations and the onset of charge ordering at charged interfaces: A modified Poisson–Fermi approach in another window
Journal Articles

Reflections on Zwanzig’s theories of dielectric friction

FeaturedFree
Mischa Bonn, James T. Hynes
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 240401 (2024)
https://doi.org/10.1063/5.0248521
Published: December 2024
View articletitled, Reflections on Zwanzig’s theories of dielectric friction
Open the PDF for Reflections on Zwanzig’s theories of dielectric friction in another window
Journal Articles

Frequency-dependent conductivity of concentrated electrolytes: A stochastic density functional theory

Open Access
Haggai Bonneau, Yael Avni, David Andelman, Henri Orland
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244501 (2024)
https://doi.org/10.1063/5.0236073
Published: December 2024
View articletitled, Frequency-dependent conductivity of concentrated electrolytes: A stochastic density functional theory
Open the PDF for Frequency-dependent conductivity of concentrated electrolytes: A stochastic density functional theory in another window
Journal Articles

Efficient method for simulating ionic fluids between polarizable metal electrodes

Available to Purchase
Igor M. Telles, Alexandre P. dos Santos, Yan Levin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 214102 (2024)
https://doi.org/10.1063/5.0233310
Published: December 2024
View articletitled, Efficient method for simulating ionic fluids between polarizable metal electrodes
Open the PDF for Efficient method for simulating ionic fluids between polarizable metal electrodes in another window
Journal Articles

Dissipative split-charge formalism: Ohm’s law, Nyquist noise, and non-contact friction

Open Access
Martin H. Müser
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184112 (2024)
https://doi.org/10.1063/5.0242185
Published: November 2024
View articletitled, Dissipative split-charge formalism: Ohm’s law, Nyquist noise, and non-contact friction
Open the PDF for Dissipative split-charge formalism: Ohm’s law, Nyquist noise, and non-contact friction in another window
Includes: Supplementary data
Journal Articles

Cooperative lattice theory for CO2 adsorption in diamine-appended metal-organic framework at humid direct air capture conditions

Available to Purchase
Bennett D. Marshall, Pavel Kortunov, Aaron Peters, Hilda Vroman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184703 (2024)
https://doi.org/10.1063/5.0228985
Published: November 2024
View articletitled, Cooperative lattice theory for CO2 adsorption in diamine-appended metal-organic framework at humid direct air capture conditions
Open the PDF for Cooperative lattice theory for CO2 adsorption in diamine-appended metal-organic framework at humid direct air capture conditions in another window
Journal Articles

Theoretically grounded approaches to account for polarization effects in fixed-charge force fields

FeaturedOpen Access
Miguel Jorge
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 180901 (2024)
https://doi.org/10.1063/5.0236899
Published: November 2024
View articletitled, Theoretically grounded approaches to account for polarization effects in fixed-charge force fields
Open the PDF for Theoretically grounded approaches to account for polarization effects in fixed-charge force fields in another window
Journal Articles

Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories

Available to Purchase
Valerii Chuiko, Paul W. Ayers
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174116 (2024)
https://doi.org/10.1063/5.0231711
Published: November 2024
View articletitled, Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories
Open the PDF for Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories in another window
Journal Articles

Coarse-grained polarizable soft solvent models, with applications in dissipative particle dynamics

Editor’s PickOpen Access
Silvia Chiacchiera, Patrick B. Warren, Andrew J. Masters, Michael A. Seaton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174115 (2024)
https://doi.org/10.1063/5.0226871
Published: November 2024
View articletitled, Coarse-grained polarizable soft solvent models, with applications in dissipative particle dynamics
Open the PDF for Coarse-grained polarizable soft solvent models, with applications in dissipative particle dynamics in another window
Journal Articles

Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces

Editor’s PickAvailable to Purchase
Giovanni Garberoglio, Allan H. Harvey, Jakub Lang, Michał Przybytek, Michał Lesiuk, Bogumił Jeziorski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144111 (2024)
https://doi.org/10.1063/5.0232505
Published: October 2024
View articletitled, Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces
Open the PDF for Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces in another window
Journal Articles

ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations

Open Access
Javier Carmona-Espíndola, Valeria García-Melgarejo, Edgar Núñez-Rojas, Samantha Mendoza, Abraham García, José L. Gázquez, José Alejandre
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144103 (2024)
https://doi.org/10.1063/5.0224028
Published: October 2024
View articletitled, ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations
Open the PDF for ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations in another window