Pinned Repositories
1-Norm_calculations
Calculating the 1-norm for different orbitals and molecules
aqa_pictures
pictures for the course
auto_oo
Orbital optimized parameterized quantum circuits with auto-differentation.
OpenFermion
The electronic structure package for quantum computers.
OpenFermion-PySCF
OpenFermion plugin to interface with the electronic structure package PySCF.
pennylane
PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.
SH_Tully
Implementation of trajectory surface hopping using velocity Verlet algorithm and Tully approach
sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
pyqint
Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
OpenFermion
The electronic structure package for quantum computers.
Emieeel's Repositories
Emieeel/auto_oo
Orbital optimized parameterized quantum circuits with auto-differentation.
Emieeel/1-Norm_calculations
Calculating the 1-norm for different orbitals and molecules
Emieeel/aqa_pictures
pictures for the course
Emieeel/OpenFermion
The electronic structure package for quantum computers.
Emieeel/OpenFermion-PySCF
OpenFermion plugin to interface with the electronic structure package PySCF.
Emieeel/pennylane
PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.
Emieeel/SH_Tully
Implementation of trajectory surface hopping using velocity Verlet algorithm and Tully approach
Emieeel/sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.