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ReaxPro framework ontology

This application ontology is dedicated to the ReaxPro framework for the multi-scale modeling of catalytic materials.

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contributors
1 commitLast commit ≈ 20 months ago0 stars1 fork

Description

This library provides an EMMO-complaiant semantic description of basic electronic-atomistic, mesoscopic and continuum terms so the user can build multiscale simulation (semantic-based) workflows.

Logo of ReaxPro framework ontology
Keywords
Multi-scale & multi model simulations
ontology
Workflow technologies
License
</>Source code

Participating organisations

Netherlands eScience Center
Fraunhofer Institute for Mechanics of Materials

Contributors

Pablo Lopez-Tarifa
Pablo Lopez-Tarifa
Programme Manager
Netherlands eScience Center
MB
Matthias Büschelberger
Research Software Developer
Fraunhofer Institute for Mechanics of Materials IWM
JFM
Joana Francisco Morgado
Project Manager
Fraunhofer Institute for Mechanics of Materials IWM

Related projects

ReaxPro H2020

Software Platform for Multiscale Modelling of Reactive Materials and Processes

Updated 3 months ago
Finished

Related software

pyZacros

PY

A Python library to handle Kinetic Monte Carlo codes.

Updated 34 months ago
2

ReaxPro wrappers

RE

This repository is a collection of wrappers used in the ReaxPro project. It holds wrappers for the Amsterdam Modeling Suite (AMS) and Zacros.

Updated 11 months ago
2