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ab_initio_polariton_properties

backup_scripts

bradenmweight.github.io

cci-center-quantum-dynamics-modular-quantum-devices

This repository contains the aggregate tutorials for the Center for Quantum Dynamics on Modular Quantum Devices. Each folder contains a different tutorial resource on using quantum computational tools in the domain to explore chemical phenomena..

dftbplus_charge_transfer

eminus

A pythonic plane wave density functional theory (DFT) code.

gaussian_scripts

hard_sphere_monte_carlo_project

hubbard_model

intro_computational_quantum_mechanics

learnhartreefock.jl

Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.

libra-code

mbpt_projects

molecular_quantum_dynamics_and_spectroscopy

A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems

multimash

nexmd

openms_bmw

orbkit

A Toolbox for Post-Processing Quantum Chemical Wavefunction Data

pldm-python

PLDM code for quantum dynamics

pwdft.jl

Plane wave density functional theory using Julia programming language

pythoncompphys

Some python workbooks with various topics from Computational Physics

qed-td-dft

Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis

qed_dft_rad

qed_manymolecule_manymode_namd

quantumdynamicsmethodssuite

quantummontecarlo

sharc

The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

single_electron_polariton_methods

Workflow for calculations of polaritonic energies and wavefunctions using a variety of methods.

splitoperator1d

sqd