LangmuirSim / langmuir
Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells
☆13Updated 8 years ago
Related projects: ⓘ
- Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials…☆33Updated last year
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆43Updated this week
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆20Updated this week
- Teaching Utility for Classical Atomistic Simulation.☆29Updated last month
- ☆23Updated 3 months ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Updated last month
- A Basic Symmetry Module (Python)☆15Updated 3 months ago
- 1D model written in Python which solves the semiconductor Poisson-Drift-Diffusion equations using finite-differences.☆28Updated 2 years ago
- An open source drift diffusion code based in MATLAB for simulating semiconductor devices with mixed ionic-electronic conducting materials…☆48Updated last year
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated 3 weeks ago
- Developer repository for the LATTE code☆40Updated 9 months ago
- A one-stop-shop for handling data in computational spectroscopy☆12Updated 2 months ago
- Monte Carlo and Molecular Dynamics Simulation Package☆82Updated 2 months ago
- A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)☆53Updated 3 weeks ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆30Updated this week
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆15Updated last week
- A package for plotting and manipulating 1D spectra☆10Updated last month
- Quantum systems containing matrix elements for second quantized solvers☆10Updated last year
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and partic…☆32Updated this week
- Python framework for generating and validating pseudo potentials☆41Updated 10 months ago
- Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.☆16Updated 2 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 2 years ago
- A tool for performing post-processing of lammps log files☆13Updated 3 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 2 years ago
- Kinetic Monte Carlo Simulator☆25Updated 3 years ago
- This is a mirror. Please check our main website on gitlab.☆22Updated last week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆46Updated this week
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆56Updated 3 years ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆21Updated last month
- reimplementation of the DFT-D3 program☆51Updated 2 weeks ago