PabloPiaggi / Crystallization-of-SiliconLinks
Tutorial: Crystallization of silicon using enhanced sampling simulations
☆18Updated last year
Alternatives and similar repositories for Crystallization-of-Silicon
Users that are interested in Crystallization-of-Silicon are comparing it to the libraries listed below
Sorting:
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- ☆68Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 10 months ago
- ☆43Updated 7 years ago
- Site-Occupation Disorder☆44Updated 5 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated 2 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆27Updated 2 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last month
- Python package to analyse the structural dynamics of perovskites☆44Updated 3 weeks ago
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last week
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 6 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- A... M... L...☆50Updated 3 years ago
- Constant potential method in LAMMPS☆52Updated 2 years ago
- ☆62Updated 5 months ago
- ☆48Updated 11 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆103Updated 2 weeks ago
- A for finding optimized SQS structures tool written in C++☆50Updated this week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- ☆36Updated 5 years ago