openMD

Resource Type: SoftwareLocal ID: https://materials.registry.nist.gov/pid/rest/local/nmrr/ML1SQXU8S0O9BAT8II4YStatus: active

Identity

Title: openMD

Providers

Content

Description: OpenMD is an open source molecular dynamics engine which is capable of efficiently simulating liquids, proteins, nanoparticles, interfaces, and other complex systems using atom types with orientational degrees of freedom (e.g. “sticky” atoms, point dipoles, and coarse-grained assemblies). Proteins, zeolites, lipids, transition metals (bulk, flat interfaces, and nanoparticles) have all been simulated using force fields included with the code. OpenMD works on parallel computers using the Message Passing Interface (MPI), and comes with a number of analysis and utility programs that are easy to use and modify. An OpenMD simulation is specified using a very simple meta-data language that is easy to learn. Landing Page: http://openmd.org

Role

Type: Software

Applicability

Data Origin Simulations: simulations

Material Type Polymers: polymers

Material Type Organic_compounds: organic compounds

Material Type Metals_and_alloys: metals and alloys

Material Type Biomaterials: biomaterials

Structural Feature Interfacial: interfacial

Structural Feature Morphologies: morphologies: nanoparticles or nanotubes

Structural Feature Morphologies: morphologies: amorphous

Structural Feature Phases: phases: liquid

Structural Feature Microstructures: microstructures: single crystal

Structural Feature Morphologies: morphologies: thin film

Structural Feature Microstructures: microstructures: defect structures

Property Addressed Thermodynamic: thermodynamic

Property Addressed Mechanical: mechanical

Property Addressed Transport: transport

Computational Method Molecular_dynamics: molecular dynamics