Quantum-Dynamics-Hub

Pinned Repositories

AFSSH_modifications
Language:Fortran11
libra-code
Language:Roff51 11 1447
Libra-X
Language:Python2 5 13
pyxaid-code
The main branch of the Pyxaid code
Language:C++3 4 04
pyxaid-code-mpi
Language:C++3 3 02
pyxaid2
Language:Python11 6 018
qmflows-namd
Package to calculate several properties related to the Nonadiabatic behaviour of a molecular system.
Language:Python2 1 00
Quantum-Dynamics-Hub-Education
Language:HTML2 2 030
sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
Language:Python2 2 00
VISTA
Virtual International Seminar on Theoretical Advancements
Language:Python3 2 00

Quantum-Dynamics-Hub's Repositories

Quantum-Dynamics-Hub/libra-code
Language:Roff51 11 1447
Quantum-Dynamics-Hub/pyxaid-code
The main branch of the Pyxaid code
Language:C++3 4 04
Quantum-Dynamics-Hub/pyxaid-code-mpi
Language:C++3 3 02
Quantum-Dynamics-Hub/VISTA
Virtual International Seminar on Theoretical Advancements
Language:Python3 2 00
Quantum-Dynamics-Hub/qmflows-namd
Package to calculate several properties related to the Nonadiabatic behaviour of a molecular system.
Language:Python2 1 00
Quantum-Dynamics-Hub/Quantum-Dynamics-Hub-Education
Language:HTML2 2 030
Quantum-Dynamics-Hub/sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
Language:Python2 2 00
Quantum-Dynamics-Hub/AFSSH_modifications
Language:Fortran11
Quantum-Dynamics-Hub/Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
Language:Fortran1 1 00
Quantum-Dynamics-Hub/HEOM_Amber
Language:Fortran1 2 00
Quantum-Dynamics-Hub/mqds
A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems
Language:Fortran1 2 01
Quantum-Dynamics-Hub/pySpawn17
A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
Language:Python1 2 00
Quantum-Dynamics-Hub/best-of
🏆 Discover best-of lists with awesome open-source projects on all kinds of topics.
Quantum-Dynamics-Hub/CNN_for_long_time_dissipative_quantum_dynamics
Quantum-Dynamics-Hub/ctramer
Language:Fortran1 0
Quantum-Dynamics-Hub/Dynemol
DynEMol: tools for studying Dynamics of Electrons in Molecules
Language:Fortran1 0
Quantum-Dynamics-Hub/modifiedMopac
Language:Fortran0 0
Quantum-Dynamics-Hub/MolSSI_workshop2024
Quantum-Dynamics-Hub/Mopac_scripts
Scripts to handle input file generation, calculation submission, and calculation of properties using OpenMopac
Language:C++0 0
Quantum-Dynamics-Hub/MopacWIthLibra
A place to keep and update code
Language:Python0 0
Quantum-Dynamics-Hub/MPSQD
MPSQD is a Python package based on matrix product states (MPS) to simulate both the time-dependent Schrodinger equation (TDSE) and the hierarchical equations of motion (HEOM).
Quantum-Dynamics-Hub/NEXMD
1 0
Quantum-Dynamics-Hub/PyDVR
A python DVR implementation
Language:Python1 0
Quantum-Dynamics-Hub/pysces
Documentation of the Pysces code
Language:Jupyter Notebook3
Quantum-Dynamics-Hub/PYSEQM
an interface to semi-empirical quantum chemistry methods implemented with pytorch
Quantum-Dynamics-Hub/Quantum-Dynamics-Hub.github.io
Language:HTML2 02
Quantum-Dynamics-Hub/Surface_Hopping
FSSH, IESH etc.
Language:Python1 0
Quantum-Dynamics-Hub/Transformer-spin-boson
Quantum-Dynamics-Hub/TT-TFD-GQME
Language:C++0 0
Quantum-Dynamics-Hub/TTSOKSL
Codes that accompany the TT-SOKSL draft
Language:Python0 0