Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations
Machine Learning Package Targeted for Amorphous Materials.
A Python package for amorphous structure generation by melt-quench simulation and random placement.
Workflows for computing glass properties at the atomic level
Density of states-based kinetic Monte-Carlo simulation of variable-range hopping in amorphous solids
Structures obtained in the PRB article "NMR, x-ray and Mössbauer results for amorphous Li-Si alloys using density functional tight-binding method"
BELLO: Characterizing local structural order in disordered materials with ease. Automated coordination analysis & visualization through a bilingual GUI.
Computational investigation of defect chemistry and structural disorder in IGZO, a transparent conducting oxide and amorphous oxide semiconductor, using DFT, molecular dynamics and machine-learning potentials.
This repository was made as a complement for the amorph repository (A program build for analysing X-Ray Diffraction in amorphous materials). It takes the posterior_sample.txt that amorph generates, and build an HDF5 file for easier access to the data.
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