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
Light-weight tight-binding framework
A conda-smithy repository for tblite.
Calculate integrals for atom pairs with the xTB Hamiltonian
A conda-smithy repository for tblite-python.
The simple testing framework
A TOML parser implementation for data serialization and deserialization in Fortran
A conda-smithy repository for toml-f.
A language agnostic test suite for TOML parsers.
A conda-smithy repository for toml-test.
Package files for toml-test
TOML C library
A conda-smithy repository for tomlplusplus.
Fortran language support for Visual Studio Code
Fortran portation of the waterhash algorithm
A conda-smithy repository for xitorch.
eXternal OPTimizer for quantum chemistry
Semiempirical Extended Tight-Binding Program Package
A conda-smithy repository for xtb.
The logo of the xtb program
Python API for the extended tight binding program package
A conda-smithy repository for xtb-python.