nanotheorygroup / water_ice_nepLinks
Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"
☆13Updated last year
Alternatives and similar repositories for water_ice_nep
Users that are interested in water_ice_nep are comparing it to the libraries listed below
Sorting:
- ☆16Updated 4 months ago
- A Toolkit for GPUMD&NEP☆43Updated this week
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 11 months ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Updated last week
- Tutorials related to GPUMD☆43Updated 4 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆22Updated last year
- A python interface of NEP☆59Updated 8 months ago
- Deep Potential Evolution Accelerator☆18Updated 3 weeks ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆36Updated 5 months ago
- Some examples of GPUMD☆23Updated last year
- ☆13Updated 2 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆87Updated 3 weeks ago
- ☆48Updated 10 months ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆20Updated 2 years ago
- ☆67Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 8 months ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆30Updated last month
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- ☆42Updated 7 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated 2 months ago
- Some scripts for gpumd and nep☆20Updated 10 months ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated last year
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- Tools for Phono(3)py power users.☆34Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆44Updated this week
- Tutorials on atomic simulations related to my research☆30Updated 3 years ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆29Updated 4 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- ☆60Updated 4 months ago