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

Electronic Structure of Atoms02:28

Electronic Structure of Atoms


An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum numbers:  n, l, ml, and...
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Coulomb's Law01:30

Coulomb's Law

Experiments with electric charges have shown that if two objects each have an electric charge, they exert an electric force on each other. The magnitude of the force is linearly proportional to the net charge on each object and inversely proportional to the square of the distance between them. The direction of the force vector is along the imaginary line joining the two objects and is dictated by the signs of the charges involved.
Newton's third law applies to the Coulomb force — the force on...
Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

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...
Mason's Rule01:20

Mason's Rule

Mason's rule is a powerful tool in control systems and signal processing. It simplifies the calculation of transfer functions from signal-flow graphs. This method leverages various elements, including loop gains, forward-path gains, and non-touching loops, to determine the transfer function efficiently.
Loop gain is determined by identifying and tracing a path from a node back to itself. This involves computing the product of branch gains along the loop. Each loop's gain is crucial for further...
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

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.

You might also read

Related Articles

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

Sort by
Same author

Multimodal characterization of variation in neuronal types in the mouse basal ganglia.

bioRxiv : the preprint server for biology·2026
Same author

Does stopping at C2 matter? A comparative analysis of alignment and craniocervical compensation in C2-T1 versus C3-T1 posterior cervical fusion.

Journal of craniovertebral junction & spine·2026
Same author

Interleukin-10 Autoantibodies and HLA-DRB1*01:03 in Inflammatory Bowel Disease.

The New England journal of medicine·2026
Same author

Barriers and enablers to reduced meat intake and perceptions of sustainable diets, among Los Angeles County adults with low incomes: a qualitative interview study.

Frontiers in public health·2026
Same author

Human Neocortical Glutamatergic Neurons Revealed Through Multimodal Profiling.

bioRxiv : the preprint server for biology·2026
Same author

The role of food-related strategies and social support: A qualitative study on the lived experiences with food among income-eligible food assistance beneficiaries.

Appetite·2025

Related Experiment Video

Updated: May 17, 2026

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
08:40

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments

Published on: January 20, 2022

ICSM: An order N method for calculating electrostatic interactions added to TINKER.

Katherine Baker1, Andrij Baumketner, Yuchun Lin

  • 1Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223, United States.

Computer Physics Communications
|October 23, 2012
PubMed
Summary

We introduce a new electrostatic calculation method, the Image-Charge Solvation Model (ICSM), for molecular dynamics simulations. This hybrid approach is faster than Particle Mesh Ewald for large systems, improving computational efficiency.

More Related Videos

Real-time Iontophoresis with Tetramethylammonium to Quantify Volume Fraction and Tortuosity of Brain Extracellular Space
10:45

Real-time Iontophoresis with Tetramethylammonium to Quantify Volume Fraction and Tortuosity of Brain Extracellular Space

Published on: July 24, 2017

Related Experiment Videos

Last Updated: May 17, 2026

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
08:40

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments

Published on: January 20, 2022

Real-time Iontophoresis with Tetramethylammonium to Quantify Volume Fraction and Tortuosity of Brain Extracellular Space
10:45

Real-time Iontophoresis with Tetramethylammonium to Quantify Volume Fraction and Tortuosity of Brain Extracellular Space

Published on: July 24, 2017

Area of Science:

  • Computational Chemistry
  • Molecular Dynamics Simulations
  • Electrostatics

Background:

  • Accurate calculation of electrostatic interactions is crucial for molecular dynamics.
  • Existing methods like Particle Mesh Ewald (PME) can be computationally intensive for large systems.
  • Hybrid approaches offer potential for improved efficiency by combining explicit and implicit solvent models.

Purpose of the Study:

  • To present and validate an order N method for electrostatic interactions.
  • To integrate the Image-Charge Solvation Model (ICSM) into the TINKER Molecular Modeling package.
  • To benchmark the performance of ICSM against PME in molecular dynamics simulations.

Main Methods:

  • Developed and integrated the Image-Charge Solvation Model (ICSM), a hybrid electrostatic approach.
  • Utilized a multiple-image method for implicit solvent reaction fields.
  • Employed the Fast Multipole Method (FMM) for Coulomb interactions in both explicit and implicit parts.
  • Validated the integrated package using simulations of liquid water.

Main Results:

  • The integrated ICSM was validated through simulations of liquid water.
  • Timing analysis demonstrated that ICSM outperforms PME for large systems.
  • The break-even point where ICSM becomes more efficient than PME is approximately 30,000 particles.

Conclusions:

  • The Image-Charge Solvation Model (ICSM) provides an efficient electrostatic calculation method for molecular dynamics.
  • ICSM's hybrid approach offers a performance advantage over PME for large-scale simulations.
  • The integration into TINKER enhances its utility for computational chemistry research.