PyTensor allows you to define, optimize, and efficiently evaluate mathematical expressions involving multi-dimensional arrays.

Thesis for the Computational Science Master's program at Central Washington University. 3D extension of an analog of cosmological particle creation in a Friedmann-Robertson-Walker universe by numerically simulating a Bose-Einstein condensate with a time-dependent scattering length.

Lightweight, general, scalable C++ library for finite element methods

The official repository for the AiiDA code

SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.

Useful functions and classes in Python programming.

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Store intermediate results of iterative methods.

Analysis postprocessing utilities for my molecular dynamics simulations of LiTFSI-Ether mixtures

simplified cellranger for long-read data

Tools for simplifying daily work with the AiiDA workflow engine

Electron/X-ray ptychography and tomography/laminography

Leibniz - a Digital Scientific Notation

⚛️ Energy research and technology.

Python scripts supporting a tutorial on the Hodgkin-Huxley model.

Crack Analysis Tool in Python (CrackPy) - automatic detection and fracture mechanical analysis of (fatigue) cracks using digital image correlation

Scripts to prepare and analyze molecular dynamics simulations

Transfer Li ions from cathode to anode in MD simulations

Understand how Computers solve PDEs