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

Potential-Energy Criterion for Equilibrium01:16

Potential-Energy Criterion for Equilibrium

Potential energy or potential function plays an essential role in determining the stability of a mechanical system. If a system is subjected to both gravitational and elastic forces, the potential function of the system can be expressed as the algebraic sum of gravitational and elastic potential energy. If the system is in equilibrium and is displaced by a small amount, then the work done on the system equals the negative of the change in the system's potential energy from the initial to the...
Thermodynamic Potentials01:26

Thermodynamic Potentials

Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
Potential Energy00:52

Potential Energy

The energy stored by a structure and location of matter in space is called potential energy. For instance, raising a kettlebell changes its spatial location and increases its potential energy. Similarly, a stretched rubber band contains potential energy which, under certain conditions, can be converted into other forms of energy, such as kinetic energy.
Chemical bonds that form attractive forces between atoms also contain potential energy, called chemical energy. When a chemical reaction...
Potential Energy01:09

Potential Energy

A conservative force, such as a gravitational or elastic force, gives the body the capacity to do work. This capacity, measured as the potential energy, depends on the body's location or “position” relative to a fixed reference position or datum. The gravitational potential energy is considered zero at the reference point. Suppose a body is located at some vertical distance above a fixed horizontal reference or datum. In that case, the weight of the body has positive gravitational potential...
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
Force and Potential Energy in One Dimension01:13

Force and Potential Energy in One Dimension

Force can be calculated from the expression for potential energy, which is a function of position. The component of a conservative force, in a particular direction, equals the negative of the derivative of the corresponding potential energy with respect to the displacement in that direction. For regions where potential energy changes rapidly with displacement, the work done and force is maximum. Also, when force is applied along the positive coordinate axis, the potential energy decreases with...

You might also read

Related Articles

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

Sort by
Same author

Deterministic Acceptance Limits for Statistical Equivalence Testing in Hydrogen/Deuterium Exchange Mass Spectrometry.

Journal of the American Society for Mass Spectrometry·2026
Same author

Radon exhalation rate and emanation factor values in relation to different soil characteristics.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine·2025
Same author

Framework for evaluating legacy high activity building material based on indoor gamma radiation surveys.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine·2025
Same author

Development of a Clostridium Perfringens Challenge Model in Broiler Chickens to Evaluate the Effects of Feed Additives.

Pathogens (Basel, Switzerland)·2025
Same author

Mycoplasma hyopharyngis isolated from the joint of a weaner: A case report.

Acta veterinaria Hungarica·2024
Same author

Long-term impact of unhealthy food tax on consumption and the drivers behind: A longitudinal study in Hungary.

Health policy (Amsterdam, Netherlands)·2024

Related Experiment Video

Updated: May 31, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Effective potentials from complex simulations: a potential-matching algorithm and remarks on coarse-grained

Gergely Tóth1

  • 1Institute of Chemistry, Eötvös University, PO Box 32, H-1518 Budapest, Hungary.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|June 23, 2011
PubMed
Summary
This summary is machine-generated.

We developed a potential-matching algorithm to simplify complex molecular interactions. This method, while useful for biomolecular simulations, faces challenges in perfectly capturing both structural and thermodynamic data.

More Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

Related Experiment Videos

Last Updated: May 31, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

Area of Science:

  • Computational sciences
  • Biomolecular simulations
  • Colloidal systems

Background:

  • Simplifying complex molecular interactions into classical functions is a challenge.
  • Existing methods include theoretical assumptions, fitting experimental data, and simplifying simulations.
  • Force-matching projects ab initio molecular dynamics data onto classical interactions.

Purpose of the Study:

  • To develop a practical potential-matching algorithm analogous to force-matching.
  • To test the algorithm's performance on simple systems and reverse Monte Carlo configurations.
  • To evaluate the limitations of coarse-graining potentials for structural and thermodynamic data.

Main Methods:

  • Developed a potential-matching algorithm requiring configurations and potential energy values.
  • Performed test calculations on simple systems, including water.
  • Applied the algorithm to reverse Monte Carlo configurations.

Main Results:

  • Test calculations on water showed similar structures from different pair interactions.
  • Inconsistencies were detected in some calculations.
  • Coarse-graining potentials cannot perfectly reproduce both structural and thermodynamic data simultaneously.

Conclusions:

  • The potential-matching algorithm is a practical tool but has limitations.
  • Inverse methods using pair-correlation functions can yield energetics inconsistent with all-atom simulations.
  • Perfect coarse-graining for both structural and thermodynamic properties remains an open challenge.