Name: Sebastian Ehlert
Type: User
Company: Microsoft Research AI4Science
Bio: Theoretical chemist, computational chemistry researcher, developing semi-empirical quantum chemistry in Fortran, Python, and sporadically C++.
Location: Amsterdam, Netherlands
Sebastian Ehlert's Projects
A conda-smithy repository for sella.
The release-only repository of the subsystem focused quantum chemistry code Serenity
GitHub action to setup Fortran compiler and toolchain
GitHub Action to setup the Fortran Package Manager for CI on Ubuntu, MacOS and Windows.
a simple Hartree–Fock program
reimplementation of the DFT-D3 program
A conda-smithy repository for simple-dftd3.
Basic programs for generating Slater-Koster files for the DFTB-method
A conda-smithy repository for skprogs.
A conda-smithy repository for sktools.
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
A clean book theme for scientific explanations and documentation with Sphinx
A conda-smithy repository for sphinx-design.
Fortran domain and autodoc extensions to Sphinx
A conda-smithy repository for sphinx-fortran.
A conda-smithy repository for sphinx-jinja.
A conda-smithy repository for sphinxcontrib-ansi.
creates xyz-files for normal spinel types
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
Integration of the Fortran standard library in CMake projects
Soon to be completed user documentation for the Fortran standard library
Exploration of string support for the Fortran standard library (stdlib)
Tests the Sterling approximation for ln(N!)
Adaptive solver for stiff systems of ODEs using three-step semi-implicit Runge-Kutta method
A conda-smithy repository for superlu_dist.
Thermodynamic Phase Diagram Generator
A conda-smithy repository for surfinpy.
SymPy's web page (sympy.org)