Projects

Personal
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MolTUI

MolTUI is a terminal molecular viewer designed for quick inspection of geometries, trajectories, orbitals and normal modes using Unicode characters. Ideal for remote SSH sessions and lightweight analyses.
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h5tui

A terminal user interface (TUI) application for navigating and viewing HDF5 files.
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ORCA Syntax Highlighting

A tree-sitter parser for input file for the ORCA quantum chemistry package which enables syntax highlighting in editors such as Vim
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MementoChem

MementoChem: The Input Generator for Forgetful Chemists. MementoChem is a convenient online interface to quickly generate input files for various quantum chemistry packages without having to look up all the pesky program-specific keywords.

tocPDF

CLI tool for generating missing PDF outlines based on the Table of Contents from the PDF.

Work
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QCMaquis

QCMaquis is an efficient C++11 implementation of the density matrix renormalization group (DMRG) algorithm for quantum chemical Hamiltonians in its matrix product state-matrix product operator (MPS-MPO) formulation. QCMaquis can perform, electronic structure, anharmonic vibrational/vibronic, nuclear-electronic and quantum dynamics simulations.
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GT4Py

GT4Py is a Python library for generating high performance implementations of stencil kernels from a high-level definition using regular Python functions. GT4Py is part of the GridTools framework, a set of libraries and utilities to develop performance portable applications in the area of weather and climate modeling.