venkatkapil24 / data-monolayer-confined-water-phase-diagramLinks
Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.
☆11Updated 2 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
Sorting:
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 11 months ago
- LAMMPS input from lammpstutorials.github.io☆53Updated last week
- Site-Occupation Disorder☆44Updated 6 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- Python interface for VASP☆87Updated this week
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- ☆18Updated 4 years ago
- A Python suite for manipulating VASP input and output☆48Updated 2 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A grain boundary generation code☆76Updated 2 years ago
- Generate random alloys and compute various properties☆60Updated 10 months ago
- ☆52Updated last year
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆105Updated last week
- Materials Interface: methods in computational materials science☆25Updated 8 years ago
- A for finding optimized SQS structures tool written in C++☆51Updated last week
- ☆44Updated 7 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 7 months ago
- cp2k postprocessing tools☆71Updated 4 months ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆90Updated 3 weeks ago
- LAMMPS plugin for AiiDA☆25Updated last week
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- Defect analysis modules for pymatgen☆56Updated last week
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated this week