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

4.5K
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.
4.5K
Poisson Probability Distribution01:09

Poisson Probability Distribution

12.4K
A Poisson probability distribution is a discrete probability distribution. It gives the probability of a number of events occurring in a fixed interval of time or space if these events happen at a known average rate and independently of the time since the last event. For example, a book editor might be interested in the number of words spelled incorrectly in a particular book. It might be that, on average, there are five words spelled incorrectly in 100 pages. The interval is 100 pages.
The...
12.4K
Debye–Huckel–Onsager Conductance Equation01:28

Debye–Huckel–Onsager Conductance Equation

174
The Debye-Hückel-Onsager equation is a cornerstone of physical chemistry, providing a method to determine the molar conductance (Λm) and molar conductance at infinite dilution (Λ°m) for uni-univalent electrolytes.Uni-univalent electrolytes are electrolytes that dissociate in solution to produce one cation with a +1 charge and one anion with a –1 charge per formula unit.This equation addresses two crucial phenomena: the asymmetry effect and the electrophoretic effect.
174
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
Poisson's Ratio01:23

Poisson's Ratio

2.0K
Poisson's ratio is a material property that indicates their stress response. It explains the connection between the elongation or compression a material undergoes in the direction of an applied force and the contraction or expansion it experiences perpendicular to that force. When a slender bar is loaded axially, it stretches in the direction of the force and contracts laterally. Poisson's ratio is the negative ratio of this lateral contraction to the axial elongation. The negative sign...
2.0K
Ampere-Maxwell's Law: Problem-Solving01:17

Ampere-Maxwell's Law: Problem-Solving

1.3K
A parallel-plate capacitor with capacitance C, whose plates have area A and separation distance d, is connected to a resistor R and a battery of voltage V. The current starts to flow at t = 0. What is the displacement current between the capacitor plates at time t? From the properties of the capacitor, what is the corresponding real current?
To solve the problem, we can use the equations from the analysis of an RC circuit and Maxwell's version of Ampère's law.
For the first part of the...
1.3K

You might also read

Related Articles

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

Sort by
Same author

Oxide induced degradation in MoS<sub>2</sub> field-effect transistors.

NPJ 2D materials and applications·2026
Same author

Atomistic Origin of RTN-like Centers Created and Annihilated by RRAM Write Processes.

Nano letters·2026
Same author

Actor-critic networks with analogue memristors mimicking reward-based learning.

Nature machine intelligence·2025
Same author

Reconfigurable artificial neuron and synapse enabled through a single alloyed memristor.

Scientific reports·2025
Same author

Electroforming Kinetics in HfO<sub><i>x</i></sub>/Ti RRAM: Mechanisms behind Compositional and Thermal Engineering.

ACS nano·2025
Same author

Ab initio simulation of spin-charge qubits based on bilayer graphene-WSe<sub>2</sub> quantum dots.

NPJ 2D materials and applications·2025
Same journal

The influence of chirality on the macroscopic behavior of multiferroic smectic phases.

The Journal of chemical physics·2026
Same journal

Polaron transformed canonically consistent quantum master equation.

The Journal of chemical physics·2026
Same journal

The x-ray absorption spectrum of the propargyl radical C3H3●.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics.

The Journal of chemical physics·2026
Same journal

Quantum state-to-state dynamics studies of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction based on a new HCO(12A″) potential energy surface.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: Mar 26, 2026

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

766

A generalized Poisson solver for first-principles device simulations.

Mohammad Hossein Bani-Hashemian1, Sascha Brück2, Mathieu Luisier2

  • 1Nanoscale Simulations, ETH Zürich, 8093 Zürich, Switzerland.

The Journal of Chemical Physics
|February 1, 2016
PubMed
Summary
This summary is machine-generated.

This study introduces a novel plane-wave algorithm for solving the generalized Poisson equation in electronic device simulations. This method accurately imposes boundary conditions, enabling advanced atomistic modeling for electronic structure calculations.

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.5K
A Method for Determination and Simulation of Permeability and Diffusion in a 3D Tissue Model in a Membrane Insert System for Multi-well Plates
10:33

A Method for Determination and Simulation of Permeability and Diffusion in a 3D Tissue Model in a Membrane Insert System for Multi-well Plates

Published on: February 23, 2018

26.3K

Related Experiment Videos

Last Updated: Mar 26, 2026

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

766
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.5K
A Method for Determination and Simulation of Permeability and Diffusion in a 3D Tissue Model in a Membrane Insert System for Multi-well Plates
10:33

A Method for Determination and Simulation of Permeability and Diffusion in a 3D Tissue Model in a Membrane Insert System for Multi-well Plates

Published on: February 23, 2018

26.3K

Area of Science:

  • Computational Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Density functional theory (DFT) calculations are crucial for understanding electronic structures.
  • Solving the Poisson equation is a key step in these DFT calculations.
  • Existing methods face challenges with complex boundary conditions in electronic devices.

Purpose of the Study:

  • To develop a versatile plane-wave algorithm for the generalized Poisson equation.
  • To enable the imposition of specific boundary conditions (Neumann and Dirichlet) in atomistic simulations.
  • To facilitate accurate modeling of electronic devices by applying source, drain, and gate voltages.

Main Methods:

  • A plane-wave based algorithm is presented for solving the generalized Poisson equation.
  • Dirichlet conditions are enforced via constraints in a variational framework, leading to a saddle point problem.
  • A stationary iterative method, preconditioned with the Laplace operator, solves the system of equations.

Main Results:

  • The algorithm successfully handles periodic and homogeneous Neumann boundary conditions.
  • Arbitrary subdomains can be defined for Dirichlet type conditions, allowing voltage imposition.
  • The solver supports smooth and density-dependent dielectric functions.
  • Consistent derivatives are available for molecular dynamics simulations.

Conclusions:

  • The developed algorithm provides a robust and flexible tool for electronic structure calculations.
  • It enables accurate simulation of electronic devices with complex boundary conditions.
  • The method facilitates advanced studies, including molecular dynamics, in computational materials science.