Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
☆39Nov 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☆36Jul 18, 2020Updated 5 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Nov 12, 2021Updated 4 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 6 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 3 weeks ago
- Lammps tutorial: graphene simulations☆34Aug 27, 2020Updated 5 years ago
- ☆14Jul 7, 2016Updated 9 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 3 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆20Feb 13, 2017Updated 9 years ago
- Convert PDB files to LAMMPS data and force field files.☆19Oct 9, 2017Updated 8 years ago
- LAMMPS configuration files☆13Jan 11, 2017Updated 9 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Apr 12, 2022Updated 3 years ago
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Apr 27, 2019Updated 6 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20May 29, 2017Updated 8 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years 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 5 years ago
- LAMMPS inputs and data files☆298Oct 9, 2024Updated last year
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 6 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆28Jan 21, 2026Updated 2 months ago
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆16Jul 8, 2023Updated 2 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆166May 24, 2023Updated 2 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Mar 16, 2026Updated last week
- ☆44Oct 23, 2025Updated 5 months ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Updated this week
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated 3 weeks ago
- Reference implementation and experiments for combining reaction-diffusion and tissue growth☆13Jan 13, 2021Updated 5 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Nov 6, 2024Updated last year
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 7 years ago
- Files associated with Hall group publications☆11Aug 1, 2025Updated 7 months ago
- A Python library for constructing polymer topologies and coordinates☆18Sep 23, 2025Updated 6 months ago
- Gromacs to Lammps simulation converter☆92Dec 9, 2023Updated 2 years ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- A tool for performing post-processing of lammps log files☆12Jul 28, 2021Updated 4 years ago
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆23Updated this week