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Related Concept Videos

Calculations of Electric Potential II01:27

Calculations of Electric Potential II

An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
Consider a...
Calculations of Electric Potential I01:15

Calculations of Electric Potential I

Consider a ring of radius R with a uniform charge density λ. What will the electric potential be at point M, which is located on the axis of the ring at a distance x from the center of the ring?
The ring is divided into infinitesimal small arcs such that point M is equidistant from all the arcs. Here, the cylindrical coordinate system is used to calculate the electric potential at point M. A general element of the arc between angles θ and θ + dθ is of the length Rdθ and has a charge of λRdθ.
Electric Field of Two Equal and Opposite Charges01:30

Electric Field of Two Equal and Opposite Charges

Atoms generally contain the same number of positively and negatively charged particles, protons, and electrons. Hence, they are electrically neutral. However, the centers of the positive and negative charges do not always coincide. In such a scenario, the electric field of an atom may not be zero.
A separation of the positive and negative charges can lead to a weak, remnant effect of the positive and negative charges. The expectation is that the more the distance between the positive and...
Finding Electric Potential From Electric Field01:13

Finding Electric Potential From Electric Field

For a system of charges, it is easy to calculate the system's potential because potential is a scalar quantity. However, in some instances where calculating the electric field is more straightforward than finding the potential, the electric field is used to calculate the system's potential. For a positive charge, the electric field is radially outward, and the potential is positive at any finite distance from the positive charge. In such an electric field, the motion away from the positive...
Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
Electric Potential Energy of Two Point Charges01:12

Electric Potential Energy of Two Point Charges

The electric potential energy of a test charge in a uniform eclectic field can be generalized to any electric field produced by static charge distribution. Consider a positive test charge in an electric field produced by another static positive charge. If the test charge is moved away from the static charge, then the electric field does the positive work on the test charge, and the electric potential energy of the test charge decreases as it moves away from the static charge. Here the electric...

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Related Experiment Video

Updated: May 20, 2026

Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

A long-range electrostatic potential based on the Wolf method charge-neutral condition.

Yasushige Yonezawa1

  • 1High Pressure Protein Research Center, Institute of Advanced Technology, Kinki University, 930 Nishimitani, Kinokawa, Wakayama, 649-6493, Japan. yonezawa@waka.kindai.ac.jp

The Journal of Chemical Physics
|July 5, 2012
PubMed
Summary
This summary is machine-generated.

This study introduces a new long-range potential for molecular simulations, improving accuracy by using the charge-neutral principle without damping. Simulations with this potential show reliable results for various systems, matching established methods.

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Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

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Last Updated: May 20, 2026

Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Area of Science:

  • Computational chemistry
  • Molecular dynamics
  • Statistical mechanics

Background:

  • Long-range electrostatic interactions are crucial in molecular simulations.
  • Traditional cutoff methods introduce artifacts, while Ewald summation and fast multipole methods are computationally intensive.
  • The Wolf method addresses artifacts using charge neutrality and potential damping.

Purpose of the Study:

  • To develop a novel long-range potential for molecular simulations.
  • To investigate the efficacy of a potential based solely on the charge-neutral condition without damping.
  • To validate the new potential against established methods like Particle Mesh Ewald.

Main Methods:

  • Developed a new long-range potential incorporating the charge-neutral principle.
  • Performed molecular simulations using the novel potential on three systems: liquid sodium-chloride, TIP3P water, and a charged protein with neutralized ions.
  • Compared simulation results with those obtained using the Particle Mesh Ewald method.

Main Results:

  • The proposed potential, utilizing only the charge-neutral condition, demonstrated accurate statistical and dielectric properties.
  • Simulations involving liquid sodium-chloride, TIP3P water, and a charged protein system showed reliable performance.
  • The results obtained with the new potential were comparable to those from the Particle Mesh Ewald method.

Conclusions:

  • The novel long-range potential offers an accurate and reliable alternative for molecular simulations.
  • Removing potential damping from the Wolf method's charge-neutral principle is effective.
  • This approach provides a computationally efficient way to handle long-range electrostatic interactions in complex systems.