schrodinger topic

Une simulation de l'évolution d'un paquet d'onde gaussien

Azercoco

Solving Schrodinger Equation Numerically

c0rychu

Quantum to Molecular Mechanics (Q2MM)

ericchansen

2D Time independent Schroedinger equation solver

LaurentNevou

Schrodinger-Poisson solver in 1D demonstrator

LaurentNevou

GPU Gross-Pitaevskii Equation numerical solver for rapidly rotating Bose-Einstein condensates. Further development and maintenance from https://github.com/GPUE-group/GPUE

mlxd

A python package for computer-aid drug design.

CyberCatQ

Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN

LaurentNevou

Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.

rebelot

Computes the electronic band structure of Zinc Blende semiconductor

LaurentNevou