brucefan1983 / GPUGALinks
Graphics Processing Units Genetic Algorithm
☆25Updated 4 years ago
Alternatives and similar repositories for GPUGA
Users that are interested in GPUGA are comparing it to the libraries listed below
Sorting:
- A CUDA-implementation of linear-scaling quantum transport methods☆27Updated last year
- Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)☆10Updated 7 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 5 years ago
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Updated 6 years ago
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆18Updated last week
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 5 years ago
- ☆27Updated last year
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated last year
- A wrapper for many computational codes of thermal conductivity☆25Updated 3 years ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆26Updated 3 weeks ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Updated 5 years ago
- Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT☆35Updated 11 months ago
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆41Updated last week
- A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method☆13Updated 6 years ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- A matlab implementation of density functional theory, for demonstrative purpose☆21Updated 7 years ago
- ☆12Updated 3 weeks ago
- Qbox public repository☆35Updated 2 months ago
- A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files☆15Updated 4 years ago
- Sample codes on computational solid state physics☆15Updated 4 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆47Updated 5 years ago
- A MATLAB program for simulating film growth using Kinetic Monte Carlo.☆15Updated 4 years ago
- A collection of crystal structures from first-principles simulations☆34Updated 5 years ago
- Lammps tutorial: graphene simulations☆32Updated 4 years ago
- A simple 1D time-dependent linearized phonon transport problem solved with the Kinetic Monte Carlo method☆9Updated 9 years ago
- A Python library to calculate elastic properties of materials.☆59Updated 3 years ago
- Some examples of using pymatgen code☆23Updated 10 months ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 8 months ago