MikeHeiber / ExcimontecLinks
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.
☆36Updated 3 years ago
Alternatives and similar repositories for Excimontec
Users that are interested in Excimontec are comparing it to the libraries listed below
Sorting:
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- ASE density-functional tight-binding calculator☆68Updated 10 months ago
- Atomistic Manipulation Toolkit☆36Updated 3 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated last week
- Atomistic Manipulation Toolkit☆93Updated 4 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆37Updated 2 months ago
- Open-source library for analyzing the results produced by ABINIT☆132Updated 2 weeks ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated last week
- ☆30Updated 3 weeks ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆48Updated last month
- Debye's scattering equation & other analysis of atomistic models.☆56Updated 2 years ago
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 6 months ago
- ☆50Updated last week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 7 months ago
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated last week
- Atomic interaction potentials based on artificial neural networks☆126Updated last month
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆59Updated 5 months ago
- ☆44Updated 2 months ago
- Course material for an undergraduate quantum chemistry lab class☆52Updated last year
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated 2 weeks ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆91Updated 2 weeks ago
- Python interface for VASP☆88Updated this week
- Library first implementation of the D3 dispersion correction☆75Updated 3 months ago
- ☆53Updated last week
- General purpose tools for high-throughput catalysis☆99Updated 7 months ago