Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Poisson's And Laplace's Equation01:25

Poisson's And Laplace's Equation

4.6K
The electric potential of the system can be calculated by relating it to the electric charge densities that give rise to the electric potential. The differential form of Gauss's law expresses the electric field's divergence in terms of the electric charge density.
4.6K
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

2.1K
When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....
2.1K
Maxwell-Boltzmann Distribution: Problem Solving01:20

Maxwell-Boltzmann Distribution: Problem Solving

3.1K
Individual molecules in a gas move in random directions, but a gas containing numerous molecules has a predictable distribution of molecular speeds, which is known as the Maxwell-Boltzmann distribution, f(v).
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by
3.1K
Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

1.1K
Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
1.1K
Gauss's Law in Dielectrics01:17

Gauss's Law in Dielectrics

5.3K
Consider a polar dielectric placed in an external field. In such a dielectric, opposite charges on adjacent dipoles neutralize each other, such that the net charge within the dielectric is zero. When a polar dielectric is inserted in between the capacitor plates, an electric field is generated due to the presence of net charges near the edge of the dielectric and the metal plates interface. Since the external electrical field merely aligns the dipoles, the dielectric as a whole is neutral. An...
5.3K
Gauss's Law: Problem-Solving01:10

Gauss's Law: Problem-Solving

2.9K
Gauss's law helps determine electric fields even though the law is not directly about electric fields but electric flux. In situations with certain symmetries (spherical, cylindrical, or planar) in the charge distribution, the electric field can be deduced based on the knowledge of the electric flux. In these systems, we can find a Gaussian surface S over which the electric field has a constant magnitude. Furthermore, suppose the electric field is parallel (or antiparallel) to the area vector...
2.9K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Imaging Heat Transport in Suspended Diamond Nanostructures with Integrated Spin Defect Thermometers.

Physical review letters·2026
Same author

High-Performance Fe-MoS<sub>2</sub> Electrocatalyst for Efficient Nitrate Reduction to Ammonia: Synergistic Design for Sustainable Ammonia Production.

ACS sustainable chemistry & engineering·2025
Same author

Topological magnons driven by the Dzyaloshinskii-Moriya interaction in the centrosymmetric ferromagnet Mn<sub>5</sub>Ge<sub>3</sub>.

Nature communications·2023
Same author

Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings.

The Journal of chemical physics·2023
Same author

Evidence of Large Polarons in Photoemission Band Mapping of the Perovskite Semiconductor CsPbBr_{3}.

Physical review letters·2020
Same author

Bulk and Surface Electronic Structure of the Dual-Topology Semimetal Pt_{2}HgSe_{3}.

Physical review letters·2020
Same journal

DNA conformation determines the size of DNA-histone H1 nanoscale clusters.

The Journal of chemical physics·2026
Same journal

Confinement-controlled phase behavior of charged colloids under gravity.

The Journal of chemical physics·2026
Same journal

Dissociation line of tetrahydrofuran hydrates from NPH molecular dynamics simulations.

The Journal of chemical physics·2026
Same journal

Development of a magnetic interatomic potential for cubic antiferromagnets: The case of NiO.

The Journal of chemical physics·2026
Same journal

Simulations of solvent effects on excited state dynamics of p-DAPA, a red single benzene-based fluorophore.

The Journal of chemical physics·2026
Same journal

Rotational excitation of thioformaldehyde (H2CS) in collisions with molecular hydrogen.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: Mar 27, 2026

Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

4.1K

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.

G Fisicaro1, L Genovese2, O Andreussi3

  • 1Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland.

The Journal of Chemical Physics
|January 10, 2016
PubMed
Summary
This summary is machine-generated.

New computational solvers accurately model chemical reactions in wet environments by solving generalized Poisson and Poisson-Boltzmann equations. These tools enhance simulations of electrochemical processes in complex solutions.

More Related Videos

Author Spotlight: Computing the Effects of a Local Radiofrequency Hyperthermia Intervention on Tumor Biomechanics
10:23

Author Spotlight: Computing the Effects of a Local Radiofrequency Hyperthermia Intervention on Tumor Biomechanics

Published on: December 1, 2023

1.1K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

769

Related Experiment Videos

Last Updated: Mar 27, 2026

Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

4.1K
Author Spotlight: Computing the Effects of a Local Radiofrequency Hyperthermia Intervention on Tumor Biomechanics
10:23

Author Spotlight: Computing the Effects of a Local Radiofrequency Hyperthermia Intervention on Tumor Biomechanics

Published on: December 1, 2023

1.1K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

769

Area of Science:

  • Computational Chemistry
  • Electrochemistry
  • Physical Chemistry

Background:

  • Simulating chemical reactions in complex, wet environments is crucial for various scientific and industrial applications.
  • Accurately accounting for electrostatic screening from solvents and electrolytes is essential when applying electrochemical potentials.
  • Solving generalized Poisson and Poisson-Boltzmann equations is necessary for determining electrostatic potentials in neutral and ionic solutions.

Purpose of the Study:

  • To develop and implement accurate computational solvers for the generalized Poisson and Poisson-Boltzmann equations.
  • To enable the study of chemical reactions under applied electrochemical potentials in complex solvent/electrolyte systems.
  • To provide efficient and accurate tools for computational chemistry and materials science research.

Main Methods:

  • Developed a preconditioned conjugate gradient method for solving the generalized Poisson equation and the linear regime of the Poisson-Boltzmann equation.
  • Implemented a self-consistent procedure to solve the non-linear Poisson-Boltzmann problem.
  • Integrated solvers into BigDFT and Quantum-ESPRESSO electronic-structure packages, ensuring parallel efficiency and accuracy.

Main Results:

  • Successfully developed and validated solvers for both generalized Poisson and Poisson-Boltzmann equations.
  • Achieved high accuracy and parallel efficiency in the developed solvers.
  • Demonstrated the capability to handle periodic, free, and slab boundary conditions.

Conclusions:

  • The developed solvers provide accurate and efficient solutions for electrostatic potential calculations in complex chemical systems.
  • These tools facilitate the computational study of electrochemistry and reactions in solution.
  • The solvers are designed for integration into existing electronic-structure packages and as standalone programs.