Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
☆40Nov 11, 2021Updated 4 years ago
Alternatives and similar repositories for polymer_metal_interface
Users that are interested in polymer_metal_interface are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆38Jul 18, 2020Updated 6 years ago
- 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
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆34May 14, 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
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Lammps tutorial: graphene simulations☆35Aug 27, 2020Updated 6 years ago
- A basic Lammps tutorial using aristotle.rc.ucl.ac.uk and desktop@anywhere (for visualisation)☆11Nov 28, 2024Updated last year
- ☆14Jul 7, 2016Updated 10 years ago
- 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
- Psi-k Machine-learning interatomic potential workshop 2021☆11Nov 14, 2021Updated 4 years ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Apr 12, 2022Updated 4 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆21Feb 13, 2017Updated 9 years ago
- 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.
- LAMMPS inputs and data files☆311Oct 9, 2024Updated 2 years ago
- LAMMPS configuration files☆13Jan 11, 2017Updated 9 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆16Oct 25, 2022Updated 4 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- ☆15Nov 13, 2022Updated 3 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Apr 27, 2019Updated 7 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆90Nov 9, 2021Updated 4 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20May 29, 2017Updated 9 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Beginner LAMMPS tutorials in Jupyter notebooks — lattice energy, tension and compression, grain boundaries, fracture, and polymer chains☆503Jul 19, 2026Updated 3 months ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 6 years ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆24Sep 27, 2022Updated 4 years ago
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 9 years ago
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 4 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- Master project repository for Gøran Brekke Svaland. Molecular Dynamics using LAMMPS. CLAYFF. REAXFF.☆12May 26, 2015Updated 11 years ago
- ☆15Feb 17, 2019Updated 7 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- 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
- Examples demonstrating how to reproduce the results in the paper.☆72Nov 6, 2024Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆15Aug 5, 2026Updated 2 months ago
- ☆48Oct 23, 2025Updated last year
- Reference implementation and experiments for combining reaction-diffusion and tissue growth☆14Jan 13, 2021Updated 5 years ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- Free energy perturbation in LAMMPS.☆24Apr 18, 2021Updated 5 years ago