Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.
☆13Aug 1, 2023Updated 3 years ago
Alternatives and similar repositories for data-monolayer-confined-water-phase-diagram
Users that are interested in data-monolayer-confined-water-phase-diagram are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- Psi-k Machine-learning interatomic potential workshop 2021☆11Nov 14, 2021Updated 4 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆21Jul 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.
- A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).☆13Aug 29, 2023Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆16Oct 25, 2022Updated 4 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Jul 29, 2019Updated 7 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 5 months ago
- Tutorials on atomic simulations related to my research☆33Jun 30, 2022Updated 4 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆32Dec 25, 2021Updated 4 years ago
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 3 years ago
- Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"☆17Nov 5, 2023Updated 2 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.
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆30Feb 8, 2020Updated 6 years ago
- ☆12Aug 30, 2023Updated 3 years ago
- Python code for learning Molecular Dynamics simulations☆57Apr 22, 2026Updated 6 months ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 9 months ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆37Dec 13, 2024Updated last year
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- A... M... L...☆54Feb 18, 2022Updated 4 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 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.
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆17Jan 28, 2026Updated 9 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆22Oct 16, 2026Updated 2 weeks ago
- [ICLR 2026] Advancing Universal Deep Learning for Electronic-Structure Hamiltonian Prediction of Materials☆29Oct 18, 2026Updated last week
- A Python interface for GPUMD☆36Nov 30, 2022Updated 3 years ago
- A python library for friction, lubrication and contact mechanics models☆49Aug 27, 2026Updated 2 months ago
- Non-equilibrium green's function method☆20Nov 26, 2015Updated 10 years ago
- ☆24Aug 16, 2018Updated 8 years ago
- Globally Managed Parallel Optimization☆12Dec 17, 2022Updated 3 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Band unfolding for phonons☆64Oct 23, 2024Updated 2 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆23May 7, 2026Updated 5 months ago
- LaTeX style for NUS Qualifying Examination.☆21Mar 13, 2018Updated 8 years ago
- A python package to deconstruct MOFs, COFs or Cages into building units, compute porosity, remove unbound guests and compute cheminfomati…☆26Oct 5, 2026Updated 3 weeks ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- ☆13Aug 19, 2026Updated 2 months ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆48Updated this week