Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
☆34May 14, 2019Updated 7 years ago
Alternatives and similar repositories for LAMMPS_Simulation
Users that are interested in LAMMPS_Simulation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Training code used to optimize reaxff force field (via LAMMPS)☆20May 29, 2017Updated 9 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Apr 27, 2019Updated 7 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆14Jul 29, 2022Updated 4 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆40Nov 11, 2021Updated 4 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆38Jul 18, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 9 years ago
- ☆48Oct 23, 2025Updated last year
- Lammps tutorial: graphene simulations☆35Aug 27, 2020Updated 6 years ago
- Master project repository for Gøran Brekke Svaland. Molecular Dynamics using LAMMPS. CLAYFF. REAXFF.☆12May 26, 2015Updated 11 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆105Updated this week
- A basic Lammps tutorial using aristotle.rc.ucl.ac.uk and desktop@anywhere (for visualisation)☆11Nov 28, 2024Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆48Nov 12, 2021Updated 4 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 8 months ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆44Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- python wrappers for generating training files for the ReaxFF code☆24Apr 10, 2014Updated 12 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 6 years ago
- ☆14Jul 7, 2016Updated 10 years ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆87Sep 23, 2024Updated 2 years ago
- LAMMPS inputs and data files☆311Oct 9, 2024Updated 2 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 5 months ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 6 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆11Apr 9, 2021Updated 5 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.
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆38Oct 8, 2026Updated 3 weeks ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆29Aug 14, 2019Updated 7 years ago
- ☆79Sep 14, 2023Updated 3 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆15Aug 5, 2026Updated 2 months 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…☆15Oct 7, 2017Updated 9 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆16Oct 25, 2022Updated 4 years ago
- A Vectorized Implementation of the Tersoff Potential for the LAMMPS Molecular Dynamics Software☆13Nov 14, 2017Updated 8 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆60Jul 15, 2019Updated 7 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆53May 7, 2026Updated 5 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆31Oct 18, 2023Updated 3 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆24Updated this week
- ☆23Oct 9, 2025Updated last year
- Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).☆13Jul 14, 2021Updated 5 years ago
- Chatbox is a desktop app for GPT/LLM that supports Windows, Mac, Linux & Web Online☆12Jul 9, 2023Updated 3 years ago
- Beginner LAMMPS tutorials in Jupyter notebooks — lattice energy, tension and compression, grain boundaries, fracture, and polymer chains☆503Jul 19, 2026Updated 3 months ago