Karthik Gururangan (@kgururangan)
github

kgururangan

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Top repositories

1

Quantum-Chemistry

Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various things
Jupyter Notebook
16
star
2

mph

Solve the Frenkel-Holstein Hamiltonian within the many-particle basis.
Python
2
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3

miniccpy

Small package for spinorbital implementations of coupled-cluster methods for molecular systems.
Python
2
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4

Redfield_GPR

Exciton relaxation dynamics modeling using coherent modified Redfield theory. Metamodeling using gaussian process regression (Kriging interpolation)
Jupyter Notebook
2
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5

CIPSI_Tools

Collection of scripts that are used to parse and manipulate CIPSI wavefunctions generated using Quantum Package 2.0.
Python
1
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6

Einsum-in-Fortran90

A repository containing codes used to develop an einsum tensor construction function in Modern Fortran. The syntax is meant to mirror Numpy's einsum function.
Fortran
1
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