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ReaxPro framework ontology

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

3
contributors
1 commits | Last commit 10 months ago

What ReaxPro framework ontology can do for you

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.

Participating organisations

Netherlands eScience Center
Fraunhofer Institute for Mechanics of Materials

Contributors

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 10 months ago
Finished

Related software

pyZacros

PY

A Python library to handle Kinetic Monte Carlo codes.

Updated 23 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 2 weeks ago
2