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

Types of Forces01:09

Types of Forces

16.7K
In most situations, forces can be grouped into two categories: contact forces and field forces.  Contact forces occur as a result of direct physical contact between objects. Field forces, however, act without the necessity of physical contact between objects. They depend on the presence of a "field" in the region of space surrounding the body under consideration. You can think of a field as a property of space that is detectable by the forces it exerts. Scientists think there...
16.7K
Two-Dimensional Force System01:20

Two-Dimensional Force System

1.8K
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:
1.8K
Non-conservative Forces01:17

Non-conservative Forces

10.3K
Non-conservative forces are dissipative forces such as friction or air resistance. These forces take energy away from a system as it progresses. Unlike conservative forces, non-conservative forces do not have potential energy associated with them. This is because the energy is lost to the system and cannot be turned into useful work later.
Also unlike their conservative counterparts, they are path-dependent; where the object starts and stops does matter. For example, a grinding wheel applies a...
10.3K
Three-Dimensional Force System01:30

Three-Dimensional Force System

3.0K
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...
3.0K
Static and Kinetic Frictional Force01:05

Static and Kinetic Frictional Force

26.6K
One of the simpler characteristics of sliding friction is that it is parallel to the contact surfaces between systems, and is always in a direction that opposes the motion or attempted motion of the systems relative to each other. If two systems are in contact and moving relative to one another, then the friction between them is called kinetic friction. For example, kinetic friction slows a hockey puck sliding on ice.
However, if two systems are in contact and are stationary relative to one...
26.6K
Force and Potential Energy in Three Dimensions01:04

Force and Potential Energy in Three Dimensions

5.8K
Consider a particle moving under the action of a conservative force that has components along each coordinate axis. Each component of force is a function of the coordinates. The potential energy function U is also a function of all three spatial coordinates. Force in one dimension can be written as the negative ratio of potential energy change to the displacement along that coordinate. For minimal displacement, the ratios become derivatives. If a function has many variables, the derivative only...
5.8K

You might also read

Related Articles

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

Sort by
Same author

Competing reaction pathways in the decomposition of 2-propanol over V-doped Co<sub>3</sub>O<sub>4</sub>(111) model catalysts: a mechanistic study.

Faraday discussions·2026
Same author

Diastereoselective amidoboronate formation and transformation from a <i>rac</i> to a different <i>meso</i> amidoboronate <i>via</i> dynamic C-C bonds.

Organic & biomolecular chemistry·2025
Same author

Migration of para-Nitrophenyl Groups in Methyl Pyranosides: Configuration and Conformation Determine the Kinetics.

Chemistry (Weinheim an der Bergstrasse, Germany)·2024
Same author

Advancing Optoglycomics: Two Orthogonal Azobenzene Glycoside Antennas in One Glycocluster-Synthesis, Switching Cycles, Kinetics and Molecular Dynamics.

Chemistry (Weinheim an der Bergstrasse, Germany)·2024
Same author

On the brink of self-hydration: the water heptadecamer.

Physical chemistry chemical physics : PCCP·2024
Same author

Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water.

The journal of physical chemistry. A·2023

Related Experiment Video

Updated: Apr 10, 2026

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

3.4K

Reactive force fields made simple.

Bernd Hartke1, Stefan Grimme

  • 1Institute for Physical Chemistry, Christian-Albrechts-University, Max-Eyth-Str. 2, D-24118 Kiel, Germany. hartke@pctc.uni-kiel.de.

Physical Chemistry Chemical Physics : PCCP
|June 16, 2015
PubMed
Summary
This summary is machine-generated.

Generating reactive force fields for chemical reactions is now faster and easier for non-experts. Combining quantum-mechanically derived force fields (QMDFF) with empirical valence bond (EVB) methods simplifies complex reaction modeling.

More Related Videos

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

789
Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

4.1K

Related Experiment Videos

Last Updated: Apr 10, 2026

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

3.4K
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

789
Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

4.1K

Area of Science:

  • Computational chemistry
  • Molecular modeling
  • Chemical reaction dynamics

Background:

  • Developing accurate reactive force fields is crucial for simulating chemical reactions.
  • Traditional methods require extensive expertise and time, limiting accessibility.
  • Existing approaches often struggle with complex reaction mechanisms.

Purpose of the Study:

  • To develop a streamlined approach for generating reactive force fields.
  • To enable non-specialists to model chemical reactions efficiently.
  • To demonstrate the applicability of the new method to diverse reaction types.

Main Methods:

  • Integration of quantum-mechanically derived force fields (QMDFF) with empirical valence bond (EVB) methods.
  • Development of a user-friendly workflow for force field generation.
  • Validation through case studies of chemical reactions.

Main Results:

  • Reduced time for reactive force field generation from months to hours.
  • Successful application to both simple atom exchange and complex reactions.
  • Demonstrated ease of use for non-specialists in computational chemistry.

Conclusions:

  • The combined QMDFF-EVB approach significantly simplifies reactive force field generation.
  • This method democratizes the study of chemical reaction dynamics.
  • Future work can expand the scope to a wider range of chemical transformations.