robsmith-qcp Goto Github PK
Name: Robert L. Smith
Type: User
Bio: I am a Ph.D. candidate at Virginia Tech studying quantum chemistry with applications to quantum information science.
Robert L. Smith's Projects
activespacesolvers.jl
clustermeanfield.jl
embedding_data
group_website
hubbardholstein.jl
mayhall-lab-manual
mode_configurations
molecool
A very cool molecular visualizer
montecarlo
naive-hci
A naive implementation of heat-bath selected CI
openfermion
The electronic structure package for quantum computers.
paulioperators.jl
periodic-table
projection-based-embedding
PRojection-based Embedding for Selected spin informed by Singular value partitioning of the Embedding Subsystems
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psiembed
Python code designed for projection-based embedding calculations
pycdt
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
python-package-best-practices
http://education.molssi.org/python-package-best-practices/
qc_course_dev
quantumsoftware1
shci
Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
wick
Symbolic manipulation of operator strings for quantum chemistry
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