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

Clausius-Clapeyron Equation02:35

Clausius-Clapeyron Equation

59.7K
The equilibrium between a liquid and its vapor depends on the temperature of the system; a rise in temperature causes a corresponding rise in the vapor pressure of its liquid. The Clausius-Clapeyron equation gives the quantitative relation between a substance’s vapor pressure (P) and its temperature (T); it predicts the rate at which vapor pressure increases per unit increase in temperature.
59.7K
Olefin Metathesis Polymerization: Overview01:13

Olefin Metathesis Polymerization: Overview

2.3K
Recently, the development of olefin metathesis polymerization advanced the field of polymer synthesis. Simply put, the reorganization of substituents on their double bonds between two olefins in the presence of a catalyst is known as the olefin metathesis reaction. The use of metathesis reaction for polymer synthesis is called olefin metathesis polymerization.
Ruthenium-based Grubbs catalyst is the most commonly used catalyst for olefin metathesis polymerization. Grubbs catalyst consists...
2.3K
Chemiosmosis01:32

Chemiosmosis

103.7K
Oxidative phosphorylation is a highly efficient process that generates large amounts of adenosine triphosphate (ATP), the basic unit of energy that drives many cellular processes. Oxidative phosphorylation involves two processes— the electron transport chain and chemiosmosis.
Electron Transport Chain
The electron transport chain involves a series of protein complexes on the inner mitochondrial membrane that undergo a series of redox reactions. At the end of this chain, the electrons...
103.7K
Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

2.2K
Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
2.2K
Isothermal Processes01:21

Isothermal Processes

4.0K
A thermodynamic process that occurs at constant temperature is called an isothermal process. Heat slowly flows into the system or out of the system to maintain thermal equilibrium. Processes involving phase changes like water evaporation into steam or freezing water into ice at a constant temperature are examples of Isothermal Processes.
An ideal gas can also undergo isothermal expansion or compression.
For example, consider 1 mole of an ideal gas inside an isolated cylinder at initial volume V...
4.0K
Maxwell-Boltzmann Distribution: Problem Solving01:20

Maxwell-Boltzmann Distribution: Problem Solving

1.8K
Individual molecules in a gas move in random directions, but a gas containing numerous molecules has a predictable distribution of molecular speeds, which is known as the Maxwell-Boltzmann distribution, f(v).
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by
1.8K

You might also read

Related Articles

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

Sort by
Same author

Cost-Effectiveness of Targeted Pharmacotherapy - A Systematic Review of the Literature.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research·2016
Same author

The Grass is Always Greener on the Other Side or Why There Is Little Meaning in International Pharmaceutical Price Comparison.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research·2016
Same author

Proposal for a Comprehensive Definition of Budget Impact Analysis.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research·2016
Same author

[Development and implementation of an integrated care pathway at the POLIKUM health centers using the example of anemia].

Der Internist·2014
Same author

[Mechanics and effects of European reference pricing for vaccines in Germany according to §130a Abs. 2 SGB V: an analysis using the example of influenza vaccines].

Gesundheitswesen (Bundesverband der Arzte des Offentlichen Gesundheitsdienstes (Germany))·2013
Same author

[Costs of delivering allogenic blood in hospitals].

Der Chirurg; Zeitschrift fur alle Gebiete der operativen Medizen·2013
Same journal

The influence of chirality on the macroscopic behavior of multiferroic smectic phases.

The Journal of chemical physics·2026
Same journal

Polaron transformed canonically consistent quantum master equation.

The Journal of chemical physics·2026
Same journal

The x-ray absorption spectrum of the propargyl radical C3H3●.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics.

The Journal of chemical physics·2026
Same journal

Quantum state-to-state dynamics studies of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction based on a new HCO(12A″) potential energy surface.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: Sep 30, 2025

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes
11:05

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes

Published on: December 13, 2016

12.3K

The OpenKIM processing pipeline: A cloud-based automatic material property computation engine.

D S Karls1, M Bierbaum2, A A Alemi3

  • 1Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, Minnesota 55455, USA.

The Journal of Chemical Physics
|March 15, 2022
PubMed
Summary
This summary is machine-generated.

The Open Knowledgebase of Interatomic Models (OpenKIM) provides standardized interatomic models and computational protocols for molecular simulations. Its processing pipeline automatically tests and verifies these models, aiding in understanding their validity and selecting appropriate models for specific applications.

More Related Videos

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

859
An Open Source Technology Platform to Manufacture Hydrogel-Based 3D Culture Models in an Automated and Standardized Fashion
08:29

An Open Source Technology Platform to Manufacture Hydrogel-Based 3D Culture Models in an Automated and Standardized Fashion

Published on: March 31, 2022

4.6K

Related Experiment Videos

Last Updated: Sep 30, 2025

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes
11:05

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes

Published on: December 13, 2016

12.3K
Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

859
An Open Source Technology Platform to Manufacture Hydrogel-Based 3D Culture Models in an Automated and Standardized Fashion
08:29

An Open Source Technology Platform to Manufacture Hydrogel-Based 3D Culture Models in an Automated and Standardized Fashion

Published on: March 31, 2022

4.6K

Area of Science:

  • Computational Materials Science
  • Molecular Dynamics Simulations
  • Software Engineering

Background:

  • Access to standardized interatomic models and evaluation protocols is crucial for molecular simulations.
  • Understanding the range of validity and suitability of interatomic models for specific applications is a significant challenge.
  • A unified, publicly available environment for these resources is needed by the molecular modeling community.

Purpose of the Study:

  • To introduce the Open Knowledgebase of Interatomic Models (OpenKIM) framework.
  • To describe the OpenKIM Processing Pipeline for automated testing and verification of interatomic models.
  • To demonstrate the application of the pipeline for interatomic model selection.

Main Methods:

  • Development of a computational pipeline utilizing Docker images and open-source software.
  • Automated execution of test-model and verification check-model pairs.
  • Hosting of standardized interatomic models and computational protocols in the OpenKIM Repository.
  • Utilizing distributed, heterogeneous hardware for pipeline execution.

Main Results:

  • The OpenKIM framework facilitates access to standardized interatomic models and evaluation protocols.
  • The OpenKIM Processing Pipeline automates the testing and verification of interatomic models.
  • The pipeline successfully runs tests and checks across all available models in the OpenKIM Repository.
  • Demonstrated application of the pipeline for interatomic model selection.

Conclusions:

  • OpenKIM provides a valuable resource for the molecular modeling community.
  • The automated processing pipeline enhances the usability and reliability of interatomic models.
  • The framework aids in assessing model validity and suitability for diverse applications.
  • OpenKIM represents a significant advancement in managing and evaluating interatomic models for simulations.