MikeHeiber / Excimontec
Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials and devices, such as OPVs, OLEDs, and more.
☆33Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for Excimontec
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 9 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆64Updated 3 months ago
- Python interface for VASP☆78Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆71Updated last year
- Analysis of quantum chemical interactions in molecules and solids.☆100Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- A Python library and command line interface for automated free energy calculations☆71Updated 3 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆65Updated this week
- Specification of a common REST API for access to materials databases☆83Updated last week
- ASE density-functional tight-binding calculator☆63Updated 3 weeks ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆39Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆58Updated 8 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆34Updated 2 weeks ago
- Fermi surface generation, analysis and visualisation.☆88Updated 3 weeks ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆79Updated this week
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆57Updated last week
- A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …☆19Updated 4 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- A C++ software tool for generating and analyzing model bulk heterojunction morphologies in a parallel computing environment☆11Updated 3 years ago
- Defect analysis modules for pymatgen☆41Updated this week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 3 years ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆49Updated 2 weeks ago
- A computational framework to automate point defect calculations☆35Updated 6 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago
- Generating geometries for electronic structure calculations from CIF files.☆41Updated 2 weeks ago
- ☆51Updated this week
- A lightweight python package for reading and writing VASP ML_AB files☆32Updated 10 months ago
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago