Michael Scherbela's starred repositories
deeperwin
DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.
lattice_boltzmann
Python code for simulating 2D fluid dynamics using the lattice-boltzmann method