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Quantum-Dynamics-Hub

Quantum-Dynamics-Hub

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Quantum-Dynamics-Hub's repositories

libra-code

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pyxaid-code

The main branch of the Pyxaid code

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VISTA

Virtual International Seminar on Theoretical Advancements

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Libra-X

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pyxaid-code-mpi

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sharc

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

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Hefei-NAMD

ab-initio nonadiabatic molecular dynamics program

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HEOM_Amber

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mqds

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

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pySpawn17

A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations

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qmflows-namd

Package to calculate several properties related to the Nonadiabatic behaviour of a molecular system.

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Quantum-Dynamics-Hub-Education

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AFSSH_modifications

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ctramer

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Dynemol

DynEMol: tools for studying Dynamics of Electrons in Molecules

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FGR

Equilibrium and Non-Equilibrium Fermi's Golden Rule for Charge Transfer Rates

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FGR-1

FGR Transfer Rate

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modifiedMopac

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MolSSI_workshop2024

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Mopac_scripts

Scripts to handle input file generation, calculation submission, and calculation of properties using OpenMopac

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MopacWIthLibra

A place to keep and update code

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NEXMD

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PyDVR

A python DVR implementation

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pysces

Documentation of the Pysces code

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Quantum-Dynamics-Hub.github.io

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Surface_Hopping

FSSH, IESH etc.

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TT-TFD-GQME

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TT-Toolbox

The git repository for the TT-Toolbox

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TTSOFT

J. Chem. Theory Comput. 13: 4034-4042 (2017)

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TTSOKSL

Codes that accompany the TT-SOKSL draft

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