Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"
☆16Nov 5, 2023Updated 2 years ago
Alternatives and similar repositories for water_ice_nep
Users that are interested in water_ice_nep are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 5 months ago
- ☆13Apr 9, 2025Updated last year
- Anharmonic Lattice Dynamics☆181Updated this week
- ☆11Aug 30, 2023Updated 2 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆32Sep 24, 2025Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 3 years ago
- ☆21Jan 5, 2026Updated 3 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆54Apr 10, 2026Updated last week
- ☆13Dec 14, 2024Updated last year
- ☆11Sep 16, 2024Updated last year
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- Tracking citations of atomistic simulation engines☆27Mar 25, 2026Updated 3 weeks ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Jul 2, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Graphics Processing Units Genetic Algorithm☆26Mar 3, 2021Updated 5 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆34Dec 13, 2024Updated last year
- Numerical Methods using Python☆17Mar 30, 2024Updated 2 years ago
- ☆17May 12, 2025Updated 11 months ago
- Some examples of GPUMD☆24May 15, 2024Updated last year
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Mar 11, 2020Updated 6 years ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆71Feb 25, 2026Updated last month
- A Python interface for GPUMD☆34Nov 30, 2022Updated 3 years ago
- Dual Adaptive Sampling for Machine Learning Interatomic potential.☆10Dec 3, 2021Updated 4 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- The TurboGAP code☆21Apr 8, 2026Updated last week
- Interactive tutorials for the PIMD Massive Open Online Course☆24Aug 2, 2023Updated 2 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Oct 27, 2019Updated 6 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆95Apr 6, 2026Updated last week
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆25Dec 17, 2025Updated 4 months ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Sep 28, 2023Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Jul 18, 2020Updated 5 years ago
- ☆122Updated this week
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Deep Potential Evolution Accelerator☆25Apr 7, 2026Updated last week
- ☆21Apr 5, 2025Updated last year
- Some scripts for gpumd and nep☆21Oct 10, 2024Updated last year
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated last year
- add the influence of external field to REANN model☆26Sep 20, 2024Updated last year
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆25Feb 14, 2025Updated last year
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago