sntioudis / paprecaLinks
PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator
☆11Updated last month
Alternatives and similar repositories for papreca
Users that are interested in papreca are comparing it to the libraries listed below
Sorting:
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆52Updated last month
- ☆12Updated this week
- Lammps tutorial: graphene simulations☆32Updated 5 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆16Updated 5 months ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆19Updated last year
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- Fermi surface generation, analysis and visualisation.☆96Updated this week
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆50Updated 2 weeks ago
- ThermoElectric is a computational framework that computes electron transport coefficients.☆23Updated last year
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 8 months ago
- A tool for performing post-processing of lammps log files☆13Updated 4 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated 2 weeks ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated this week
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Updated 2 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 10 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Updated last year
- A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)☆73Updated last month
- Learning Molecular Dynamics with LAMMPS☆15Updated last year
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- QE-GIPAW for Quantum-Espresso (official repository)☆36Updated last month
- A Python library to calculate elastic properties of materials.☆60Updated 2 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 5 months ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆34Updated 5 years ago
- LAMMPS configuration files☆13Updated 8 years ago
- Phonon Boltzmann Transport Equation☆46Updated 4 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆12Updated 2 weeks ago
- Neural functional theory for inhomogeneous fluids - Tutorial☆13Updated 4 months ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 6 years ago