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FeynDyn
Type an M x M matrix for your open quantum system Hamiltonian, and give a spectral density (analytic or numerical). FeynDyn gives the density matrix dynamics according to the Leggett-Caldeira bath or the Feynman-Vernon bath at any temperature. Can do up to 16 qubits (65536 levels) and infinitely many bath modes. Email [email protected] for the latest version or any questions.Book_About_Quadratization
Open collaborative book on quadratization in discrete optimization and quantum mechanics.AI_ENERGIES
Ab Initio EnergiesQuantum-Factorization-By-Minimization
potfit
Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio dataPegasusDraw
goDatabase
Geometry Optimization DatabasePegasus
The second architecture for large scale quantum annealing devices made by D-Wave.QCBugs
FeMoco
One of the world's most fascinating moleculesLEVEL
Solves the Schroedinger equation for a diatomic molecule to get the vibrational and rotational energies and expectation values. A project that Bob LeRoy worked on since the 1960s with contributions from Nike Dattani starting in 2007.basis-set-optimization
Library of optimized exponents and contraction coefficients for Gaussian basis sets in quantum chemistry, and Python code for optimizing them.ParFit
Fit spectroscopic constants to reproduce measurements. A project started by Bob LeRoy.Modeling_Matters
GitHub repository for the Matter Modeling Stack ExchangeQuantum_Compiler_Literature
Optimal_Branching_Systems
polyMLR
MLR potential for polyatomic moleculesQuadratizationCode
The LRS-based code includes files from David Avis's LRS library, and some files from Aritanan Gruber.Paper_H2O
Water
ab initio and Experimental properties of Water !!!ZMC
Z-matrix constructionHPQC
didat
Diatomic Database (DiDat)MatlabQuantum
RKR
Builds an RKR potential based on spectroscopic parameters. A project started by Bob LeRoy and continued by Nike Dattani.linear_splitter
betaFit
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