solid-state-chemistry
There are 0 repository under solid-state-chemistry topic.
khamidieh / predict_tc
Predict the Critical Temperature of a Superconductor
Language:R 27by256 / rdfpy
A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
Language:Python 25Linqiaosong / Fermi-Softness-for-VASP
A script for calculating Fermi-Softness.
Language:Python 13bobleesj / cif-bond-analyzer
An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.
Language:Python 10symmy596 / Polypy
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
Language:Python 10An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordination numbers from .cif files
Language:Python 9apoletayev / anomalous_ion_conduction
Supporting code and sample data for manuscript on anomalous ion transport in beta''- and beta-aluminas.
Language:Python 7An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.
Language:Python 5lmmentel / panthera
Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.
Language:Python 5University of Bath third year advanced practical chemistry teaching material - 2018
Language:Jupyter Notebook 5Xenozite / Thermokinetics-Toolset
A set of half automated MATLAB scripts for performing analysis of thermal data (TGA, DSC) and obtaining a kinetic triplet for every reaction stage
Language:MATLAB 5kirkster96 / atomic-nearest-neighbors
This repository is for a simple C++ console application that can read POSCAR files and print atomic distances between one atom and a selection of other atoms.
Language:C++ 3- Language:Fortran 0
a-firdaus / LitMove
LitMove (Lithium Movement) is an analysis code that maps Li-ions belonging to a structure to a defined reference structure and detects their movement (specifically from MD or NEB results), including to which tuple and cage the Li-ions belong. The aim is to study the diffusion pathways of Li-ions in a solid-state electrolyte.
Language:Jupyter Notebookn-deveaux / Frac-to-cart-coordinates
A lightweight Python package for converting between fractional and Cartesian coordinates, supporting both forward and inverse transformations.
Language:Python
