Zymergen-jvandezande

Computational Chemist and Machine Learning Scientist

ZymergenBoston, MA

Pinned Repositories

xtb4stda
sTDA-xTB Hamiltonian for ground state
Language:Fortran16 6 1010
dotfiles
Collection of all my dotfiles
Language:Shell1 3 00
snippets
Random code snippets that I find useful
Language:Python0 2 00
spectra
A package for plotting and manipulating 1D spectra
Language:Python10 2 00
mpi4pyscf
MPI parallelization for PySCF
Language:Python33 10 1317
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Language:C++0 0 00
xtb4stda
sTDA-xTB Hamiltonian for ground state
Language:Fortran00

Zymergen-jvandezande's Repositories

Zymergen-jvandezande/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Language:C++0 0 00
Zymergen-jvandezande/xtb4stda
sTDA-xTB Hamiltonian for ground state
Language:Fortran00