Vizualisation of Atomic Contributions to Phonon Modes
BSD-3-CLAUSE License
Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure pr...
Visualization and editing of periodic molecular structure files.
Photonic mode solver with a simple interface.
Compute vibrational levels, wavefunctions, and expectation values using the Numerov-Cooley algori...
Toolkit using the Atomistic Simulation Environment (ASE)
Quick tools for materials chemistry
A deep learning package for many-body potential energy representation and molecular dynamics
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
1D-1V Vlasov-Poisson(-Fokker-Planck), Plasma Physics PDE Simulation Tool in NumPy and experiment ...
Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows av...
Python package for computing Kerr quasinormal mode frequencies, separation constants, and spheric...
This repository allows to reproduce the Assessment of the Pauling Rules
Blender extensions for illustrations of phonons
Python module for quantum chemistry