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

Three-Dimensional Force System01:30

Three-Dimensional Force System

2.1K
In mechanical engineering, a three-dimensional force system is a system of forces acting in three dimensions, with forces applied along the x, y, and z coordinate axes. The three-dimensional force system is an important concept in mechanical engineering, as it allows engineers to understand and analyze the behavior of objects and structures in three dimensions. By understanding the forces acting on a system, engineers can design more efficient and effective mechanical systems that can withstand...
2.1K
Two-Dimensional Force System01:20

Two-Dimensional Force System

942
A two-dimensional system in mechanical engineering involves the analysis of motion and forces in a plane. A two-dimensional force vector can be resolved into its components as:
942
Molecular Models02:00

Molecular Models

38.6K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
38.6K
Intermolecular Forces and Physical Properties02:56

Intermolecular Forces and Physical Properties

20.9K
20.9K
Force and Potential Energy in One Dimension01:13

Force and Potential Energy in One Dimension

5.4K
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...
5.4K
Intermolecular Forces03:13

Intermolecular Forces

58.7K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
58.7K

You might also read

Related Articles

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

Sort by
Same author

Examination of inconsistencies in the physical modeling of vapor-liquid interfaces of strongly non-ideal mixtures.

Physical chemistry chemical physics : PCCP·2025
Same author

Genicular Artery Embolization for Symptomatic Knee Osteoarthritis: A Comprehensive Review of Techniques and Clinical Outcomes.

Cardiovascular and interventional radiology·2025
Same author

Molecular Origin of Interfacial Anomalies in Azeotropic Refrigerant Mixtures.

The journal of physical chemistry. C, Nanomaterials and interfaces·2025
Same author

Characteristic curves of water: A force field assessment.

The Journal of chemical physics·2025
Same author

Entropy scaling for diffusion coefficients in fluid mixtures.

Nature communications·2025
Same author

Topology of thermodynamic potentials using physical models: Helmholtz, Gibbs, Grand, and Null.

The Journal of chemical physics·2024
Same journal

Dataset of Optimized Structures of Aliphatic Chains Chemisorbed on Si(110) and Si(111) Surfaces via First-Principles Methods.

Scientific data·2026
Same journal

EURO-PROBE - Manual segmentations of the prostate and intraprostatic urethra on T2-weighted MRI.

Scientific data·2026
Same journal

Chromosome-Level Genome Assembly of Southern Africa Mozambique Tilapia (Oreochromis mossambicus) using PacBio HiFi and Omni-C sequencing.

Scientific data·2026
Same journal

Ovarian Stainology: Database of evidence-based immunohistochemical antigen expression in ovarian tumors.

Scientific data·2026
Same journal

A dataset of small protein conformational ensembles from all-atom molecular dynamics simulations.

Scientific data·2026
Same journal

A real-world Fitbit-derived dataset of activity, sleep, and heart rate with matched clinical factors in on-treatment lung cancer patients.

Scientific data·2026
See all related articles

Related Experiment Video

Updated: Jul 21, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

2.3K

Data scheme and data format for transferable force fields for molecular simulation.

Gajanan Kanagalingam1, Sebastian Schmitt1, Florian Fleckenstein1

  • 1Laboratory of Engineering Thermodynamics (LTD), RPTU Kaiserslautern, Kaiserslautern, 67663, Germany.

Scientific Data
|July 27, 2023
PubMed
Summary
This summary is machine-generated.

A new data scheme, TUK-FFDat, standardizes transferable force fields for molecular simulations. This machine-readable format enhances reusability and interoperability in computational chemistry workflows.

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

12.8K
Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
08:10

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy

Published on: November 20, 2021

3.0K

Related Experiment Videos

Last Updated: Jul 21, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

2.3K
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

12.8K
Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
08:10

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy

Published on: November 20, 2021

3.0K

Area of Science:

  • Computational Chemistry
  • Molecular Modeling

Background:

  • Transferable force fields are crucial for molecular simulations like molecular dynamics and Monte Carlo.
  • Current methods for representing force fields can lack standardization, hindering reusability and interoperability.

Purpose of the Study:

  • To present a generalized, machine-readable data scheme for transferable classical force fields.
  • To formalize digital representation of chemical construction plans for force fields.

Main Methods:

  • Implementation of the data scheme in an SQL-based data format.
  • Demonstration of applicability across various force field types (TraPPE, OPLS-AA, Potoff).
  • Development of conversion tools between .xls and SQL formats.

Main Results:

  • The proposed TUK-FFDat scheme is machine-readable, reusable, and interoperable.
  • The scheme accommodates both all-atom and united-atom transferable force fields.
  • Conversion tools facilitate integration into existing computational workflows.

Conclusions:

  • The TUK-FFDat data scheme provides a standardized digital framework for transferable force fields.
  • This standardization improves data integration, reusability, and interoperability in molecular simulations.
  • The scheme supports diverse force field types and can be readily incorporated into existing simulation engines and databases.