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

Biasing of Metal-Semiconductor Junctions01:27

Biasing of Metal-Semiconductor Junctions

289
Biasing metal-semiconductor junctions involves applying a voltage across the junction. Specifically, the metal is connected to a voltage source, while the semiconductor is grounded. This technique is essential for controlling the direction and magnitude of current flow in electronic devices, including diodes, transistors, and photovoltaic cells.
In Schottky junctions, where the semiconductor is n-type, applying a positive voltage to the metal relative to the semiconductor reduces its Fermi...
289
Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

443
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,...
443
Biasing of P-N Junction01:16

Biasing of P-N Junction

632
The operation of a p-n junction diode involves various biasing conditions, including forward bias, reverse bias, and equilibrium.
In equilibrium, no external voltage is applied across the p-n junction. The depletion region is formed at the junction interface due to the diffusion of carriers, which leaves behind charged dopants, acceptors on the p-side, and donors on the n-side. These immobile charges create an electric field that prevents further diffusion of carriers. The related energy band...
632
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

1.3K
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...
1.3K
Biasing of FET01:22

Biasing of FET

332
Biasing a Junction Field Effect Transistor (JFET) is crucial for setting operational parameters and ensuring efficient functioning in electronic circuits. JFETs are characterized by using a single carrier type in N-channel or P-channel configurations, where the channel is surrounded by PN junctions. These junctions are central to the device's ability to control current flow.
In an N-channel JFET, the structure consists of N-type material forming the channel on a P-type substrate, with the...
332
Propagation of Action Potentials01:23

Propagation of Action Potentials

6.1K
The propagation of an action potential refers to the process by which a nerve impulse, or "action potential," travels along a neuron.
Neurons (nerve cells) have a resting membrane potential, with a slightly negative charge inside compared to outside. This is maintained by ion channels, such as sodium (Na+) and potassium (K+) channels, which control the flow of ions. When a stimulus, like a touch or a signal from another neuron, triggers the neuron, sodium channels open, allowing sodium ions to...
6.1K

You might also read

Related Articles

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

Sort by
Same author

Two-state reaction path search using a quantum Monte Carlo-inspired approach.

The Journal of chemical physics·2026
Same author

Simplistic Software for Analyzing Mass Spectra and a Mixed Experimental-Theoretical Database for Identifying Poisonous and Explosive Substances.

Journal of computational chemistry·2025
Same author

Capturing Ring Opening in Photoexcited Enolic Acetylacetone upon Hydrogen Bond Dissociation by Ultrafast Electron Diffraction.

The journal of physical chemistry letters·2025
Same author

Scaling of Rotational Constants.

Molecules (Basel, Switzerland)·2025
Same author

Harmonic Scale Factors of Fundamental Transitions for Dispersion-corrected Quantum Chemical Methods.

Chemphyschem : a European journal of chemical physics and physical chemistry·2024
Same author

Ultrafast dynamics of fluorene initiated by highly intense laser fields.

Physical chemistry chemical physics : PCCP·2024

Related Experiment Video

Updated: Jul 31, 2025

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators
11:44

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators

Published on: August 15, 2014

10.4K

Metadynamics simulations with Bohmian-style bias potential.

Denis S Tikhonov1,2

  • 1FS-SMP, Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany.

Journal of Computational Chemistry
|May 8, 2023
PubMed
Summary

We developed a new method for metadynamics simulations to study chemical bond breaking reactions. This approach simplifies complex simulations by linking bias potentials to quantum potentials, improving reaction pathway analysis.

Keywords:
Bohmian dynamicsDiels-Alder reactionbond cleavagemetadynamicsmolecular dynamicsproton transfer

More Related Videos

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

2.4K
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

12.9K

Related Experiment Videos

Last Updated: Jul 31, 2025

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators
11:44

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators

Published on: August 15, 2014

10.4K
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

2.4K
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

12.9K

Area of Science:

  • Computational Chemistry
  • Theoretical Chemistry
  • Quantum Mechanics

Background:

  • Metadynamics simulations are powerful for exploring reaction pathways.
  • Accurately describing bond-breaking events in simulations remains challenging.
  • The de Broglie-Bohm formalism offers a unique perspective on quantum potentials.

Purpose of the Study:

  • To present a novel parametrization for metadynamics simulations.
  • To enable accurate simulation of chemical reactions involving bond cleavage.
  • To connect metadynamics bias potentials with quantum potentials from de Broglie-Bohm theory.

Main Methods:

  • Developed a parametrization linking metadynamics bias potentials to de Broglie-Bohm quantum potentials.
  • Applied the method to simulate reactions along a single collective variable.
  • Tested the approach on proton transfer and cyclohexene decomposition (reversed Diels-Alder) reactions.

Main Results:

  • Successfully parametrized metadynamics for bond-breaking reactions.
  • Demonstrated the method's efficacy on two distinct chemical reaction types.
  • The parametrization provides a robust framework for analyzing reaction mechanisms.

Conclusions:

  • The proposed parametrization enhances the capability of metadynamics simulations for bond cleavage.
  • This method offers a computationally efficient and accurate way to study complex reaction dynamics.
  • The findings facilitate deeper understanding of chemical transformations in various systems.