Script to smooth xyz and cube file trajectories. Applies spline interpolation to the trajectory
-
Updated
Dec 2, 2017 - Python
Script to smooth xyz and cube file trajectories. Applies spline interpolation to the trajectory
Band structure calculations for large systems
Dipole moment of a migrating system of classical charges
Python framework capable of prediciting the electron powder diffraction pattern of any crystal structure. This software can take into account the asymmetries in electron density for the atoms in the specified unit cell.
Programs for constructing Brillouin zones in three- and two-dimensional space.
A simple package for representing Bravais lattices in Python.
Lattice gas Monte Carlo simulation code
Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
ase interface for Quantum Espresso
DFT for dummies, my understanding about certain aspects of density functional theorem
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
Plots 2D Bravais lattices.
Contrast if formation energy depends on crystal structure
Machine learning assisted detection of threading dislocations in ECC images. Uses Tensorflow.
Generation of all possible electron-electron interaction Green's function corrections, and reduction into irreducible Feynman diagrams
calculate chemical bond strength in solids, surfaces and molecules
Code to manage long .dat/.csv magnetoresistance measurements results
Generation of all possible electron-phonon interaction Green's function corrections, and reduction into irreducible Feynman diagrams
Simulation and analysis of the effect of quantum decoherence on Anderson localisation
Add a description, image, and links to the solid-state-physics topic page so that developers can more easily learn about it.
To associate your repository with the solid-state-physics topic, visit your repo's landing page and select "manage topics."