PabloPiaggi / Crystallization-of-IceIhLinks
Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulations
☆10Updated 4 years ago
Alternatives and similar repositories for Crystallization-of-IceIh
Users that are interested in Crystallization-of-IceIh are comparing it to the libraries listed below
Sorting:
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆17Updated 10 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 2 months ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 8 months ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Updated 2 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆14Updated 7 months ago
- ☆44Updated 5 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆21Updated last month
- LAMMPS tutorials for both beginners and advanced users: the article☆25Updated last week
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆8Updated 4 months ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 5 years ago
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Updated 2 years ago
- ☆15Updated 7 months ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆11Updated 4 years ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Updated 7 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- Convert files from the ATB repository to LAMMPS format☆21Updated last week
- CmuMD implementation for PLUMED2☆19Updated last year
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆32Updated 4 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆27Updated 4 years ago
- Input script for Monte Carlo (GCMC) simulations☆18Updated 10 months ago
- Simulation data, analysis notebook, and codes to reproduce our work☆11Updated 2 weeks ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- materialsvirtuallab / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Updated 4 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆13Updated 2 years ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆23Updated 3 years ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago