Matlab codes to calculate solid-liquid contact angle from Molecular Dynamics simulations
☆15Mar 16, 2020Updated 5 years ago
Alternatives and similar repositories for contact-angle
Users that are interested in contact-angle are comparing it to the libraries listed below
Sorting:
- Contact angle image processing analysis☆28Jun 6, 2021Updated 4 years ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆21Updated this week
- GRADE: A code to determine clathrate hydrate structures. GRADE analyzes atomic positions of water molecules to compute the number of 5(12…☆22Jun 19, 2023Updated 2 years ago
- Gromacs Topology Files for common Ionic Liquids☆24Jan 24, 2026Updated last month
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆23Feb 25, 2019Updated 7 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Dec 13, 2024Updated last year
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- An Introduction to Computer Simulation Methods☆10Apr 11, 2015Updated 10 years ago
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- ☆10Jun 9, 2017Updated 8 years ago
- atomes: codeblocks dev files☆15Updated this week
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 3 weeks ago
- Simulate motion of particles in Taylor Green Vortex with different Stokes number☆10Oct 31, 2018Updated 7 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- The Molecular Dynamics teaching code.☆12Oct 17, 2025Updated 4 months ago
- A python script to perform QM/MM calculation.☆13Feb 23, 2026Updated last week
- updated constant potential plugin for LAMMPS☆39Jan 29, 2023Updated 3 years ago
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Nov 12, 2021Updated 4 years ago
- 针对开源模拟软件Lammps导出的数据文件,个人采用Python脚本进行数据处理并科研绘图,并取得相关的论文成果。☆50Jun 9, 2021Updated 4 years ago
- Basic implementation of the Reduced Immersed Method [Brandt, Scandolo, Eisemann, Hildebrandt 2019]☆12Aug 6, 2020Updated 5 years ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12May 13, 2019Updated 6 years ago
- Computes effective mode in a 1D wave guide☆10Aug 9, 2021Updated 4 years ago
- ☆13Dec 17, 2025Updated 2 months ago
- Files used in tutorials☆46Apr 26, 2020Updated 5 years ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- Using machine learning to predict the performance of supercapacitors.☆11Jun 23, 2020Updated 5 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 4 years ago
- A numerical simulation of the (2+1)D Dirac equation on a in space and time staggered grid with periodic or absorbent boundary conditions …☆11Mar 2, 2021Updated 5 years ago
- DiffNet: A FEM based neural PDE solver package☆12Apr 9, 2024Updated last year
- Stochastic first-passage time (FPT) simulations using importance sampling.☆10Oct 2, 2024Updated last year
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 4 years ago
- parKVFinder-win: thread-level parallel KVFinder for Windows☆10Sep 12, 2024Updated last year