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.
☆35Updated 3 years ago
Alternatives and similar repositories for Excimontec
Users that are interested in Excimontec are comparing it to the libraries listed below
Sorting:
- ASE density-functional tight-binding calculator☆66Updated 8 months ago
- Atomistic Manipulation Toolkit☆36Updated last month
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- Debye's scattering equation & other analysis of atomistic models.☆55Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last week
- Fermi surface generation, analysis and visualisation.☆96Updated 2 weeks ago
- A Python library and command line interface for automated free energy calculations☆83Updated this week
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- ☆29Updated 3 weeks ago
- A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)☆73Updated last month
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- General purpose tools for high-throughput catalysis☆96Updated 4 months ago
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago
- Analysis of quantum chemical interactions in molecules and solids.☆110Updated last week
- Specification of a common REST API for access to materials databases☆98Updated 2 weeks ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 2 weeks ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆66Updated last year
- 1D density functional theory code in Python☆137Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Updated 3 months ago
- Open-source library for analyzing the results produced by ABINIT☆127Updated last week
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆74Updated 4 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 4 months ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆83Updated last week
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated this week
- Gauge-including magnetically induced currents.☆31Updated last year
- Python-based plane wave density functional theory code for educational purposes☆31Updated 7 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆47Updated last year