All software
CP2K
CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.
- electronic structure
- GPU
- High performance computing
- + 5
- Fortran
- C
- Python
- + 12
Multiphase Code Repository by HZDR for OpenFOAM Foundation Software
The Multiphase Code Repository by HZDR provides research code based on OpenFOAM Foundation Software for simulating multiphase flows. Its focus is MultiMorph, an morphology-adaptive Euler-Euler model, supported by validation cases and workflows for robust industrial applications.
- Computational Fluid Dynamics
- Energy
- Euler-Euler method
- + 5
- C++
- Shell
- Lex
- + 2
ILTpy
ILTpy is a python library for performing regularized inversion of one-dimensional or multi-dimensional data without non-negativity constraint. Primary applications include magnetic resonance (NMR, EPR), and electrochemical impedance spectroscopy (distribution of relaxation times; DRT).
- Distribution of Relaxation times
- DRT
- EPR
- + 7
- Python
- HTML
Ideal-Equilibrium-Oxygen-Membrane-Reactor
The Python script OMR_model.py allows to simulate oxygen membrane reactors with continuous gas flow rates.
- Energy
- Membrane reactor
- MTET
- + 3
- Python
PeCon.py
PeCon.py is a Python-Software, that enables the calculation of the ionic and electronic conductivities of Perovskite-type ceramic materials, i.e. the conductivities within oxygen-transport ceramic membranes.
- Energy
- MTET
- open source
- + 1
Multiphase Cases Repository by HZDR for OpenFOAM Foundation Software
This repository contains simulation setups for Multiphase Code Repository by HZDR. The simulation setups are divided into mono- and polydisperse bubbly flows utilizing the set of Baseline models of HZDR, setups using the morphology-adaptive multifield two-fluid model and miscellaneous cases.
- Baseline model
- Computational Fluid Dynamics
- Euler-Euler method
- + 9
GOAC
Global Optimization of Atomistic Configurations by Coulomb
- Energy
- Modeling
- MTET
- + 1
- Fortran Free Form
- Python
JuMPER
JuMPER (Jülich open access Modelling Platform for Electrochemistry Research) is a collaborative platform designed for modelling and analyzing electrochemical processes. It supports open access research on electrochemical devices, including fuel cells, electrolyzers and batteries.
- Energy
- open source
- python
Lightning UQ Box
The lightning-uq-box is a PyTorch library that provides various Uncertainty Quantification (UQ) techniques for modern neural network architectures.
- Deep Learning
- python
- uncertainty quantification
- Python
micromechanics-indentationGUI
Graphical User Interface (GUI) software for analyzing nanoindentation experimental data
- Data analysis
- Data Visualization
- Energy
- + 5
- Python
Multiphase Python Repository by HZDR
Toolkit for reproducible multiphase CFD workflows.
- gitlab
- Numerical Simulations
- Post-processing
- + 1
- Python
- Jinja
- Shell
- + 2
UTILE-Oxy
Automated workflow using deep learning for the analysis of videos containing oxygen bubbles in PEM electrolyzers: 1. preparing annotated dataset and training models to conduct semantic seg- mentation of bubbles and 2. automating the extraction of bubble properties for further distribution analysis.
- bubbles
- Data analysis
- Data Visualization
- + 7
- Python
- Jupyter Notebook