HPQC Labs (@HPQC-LABS)
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HPQC-LABS

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  • Stars
    star
    100
  • Global Org. Rank 57,955 (Top 19 %)
  • Registered almost 8 years ago
  • Most used languages
    Roff     41.7 %
    Python
         12.5 %
    MATLAB
         12.5 %
    TeX
         12.5 %
    HTML
         8.3 %
    Shell
         4.2 %
    Perl
         4.2 %
    C++
         4.2 %

Top repositories

1

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.
MATLAB
21
star
2

Book_About_Quadratization

Open collaborative book on quadratization in discrete optimization and quantum mechanics.
TeX
19
star
3

AI_ENERGIES

Ab Initio Energies
Roff
10
star
4

Quantum-Factorization-By-Minimization

Shell
6
star
5

Hamiltonian_Zoo

Hamiltonian Zoo, Matrix Zoo, Functional Zoo, Wavefunction Zoo, Potential Zoo, Function Zoo, Master Equation Zoo, Particle Zoo, Complexity Zoo (Scott Aarsonson), Algorithms Zoo (Stephen Jordan), Zoo of Zoos.
MATLAB
5
star
6

potfit

Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data
Roff
4
star
7

PegasusDraw

3
star
8

goDatabase

Geometry Optimization Database
Python
3
star
9

Pegasus

The second architecture for large scale quantum annealing devices made by D-Wave.
Perl
3
star
10

QCBugs

Python
3
star
11

FeMoco

One of the world's most fascinating molecules
Roff
2
star
12

LEVEL

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.
Roff
2
star
13

basis-set-optimization

Library of optimized exponents and contraction coefficients for Gaussian basis sets in quantum chemistry, and Python code for optimizing them.
Python
2
star
14

ParFit

Fit spectroscopic constants to reproduce measurements. A project started by Bob LeRoy.
Roff
1
star
15

Modeling_Matters

GitHub repository for the Matter Modeling Stack Exchange
Roff
1
star
16

Quantum_Compiler_Literature

1
star
17

Optimal_Branching_Systems

HTML
1
star
18

polyMLR

MLR potential for polyatomic molecules
TeX
1
star
19

QuadratizationCode

The LRS-based code includes files from David Avis's LRS library, and some files from Aritanan Gruber.
Roff
1
star
20

Paper_H2O

1
star
21

Water

ab initio and Experimental properties of Water !!!
1
star
22

ZMC

Z-matrix construction
TeX
1
star
23

HPQC

HTML
1
star
24

didat

Diatomic Database (DiDat)
Roff
1
star
25

MatlabQuantum

MATLAB
1
star
26

RKR

Builds an RKR potential based on spectroscopic parameters. A project started by Bob LeRoy and continued by Nike Dattani.
Roff
1
star
27

linear_splitter

C++
1
star
28

betaFit

Roff
1
star