hungpham2017

Quantum chemist

Mountain View, CA

Pinned Repositories

casdmet
The modified QC-DMET to use with CASSCF solver (CASDMET)
Language:Python4 1 01
Hartree-Fock
Simple Hartree-Fock codes in Python, C++, fortran
Language:Fortran13 2 18
hungpham2017.github.io
My personal page
Language:HTML0 2 01
mcu
Modeling and Crystallographic Utilities
Language:Python43 8 1720
mDMET
Density matrix embedding theory for molecules
Language:Python1 1 01
pDMET
Density matrix embedding theory for periodic systems
Language:Python15 4 08
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Language:C++1 1 00
pyscf
Python module for quantum chemistry
Language:Python0 1 00
pyWannier90
A Wannier90 python interface for VASP and PySCF
Language:Python33 2 1310
seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Language:Python0 2 00

hungpham2017's Repositories

hungpham2017/mcu
Modeling and Crystallographic Utilities
Language:Python43 8 1720
hungpham2017/pyWannier90
A Wannier90 python interface for VASP and PySCF
Language:Python33 2 1310
hungpham2017/pDMET
Density matrix embedding theory for periodic systems
Language:Python15 4 08
hungpham2017/Hartree-Fock
Simple Hartree-Fock codes in Python, C++, fortran
Language:Fortran13 2 18
hungpham2017/casdmet
The modified QC-DMET to use with CASSCF solver (CASDMET)
Language:Python4 1 01
hungpham2017/mDMET
Density matrix embedding theory for molecules
Language:Python1 1 01
hungpham2017/hungpham2017.github.io
My personal page
Language:HTML0 2 01
hungpham2017/pyscf
Python module for quantum chemistry
Language:Python0 1 00
hungpham2017/seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Language:Python0 2 00
hungpham2017/Block
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
Language:C1 0
hungpham2017/compPhy
Computational physics in Python - https://github.com/rajeshrinet/compPhy
Language:Jupyter Notebook1 0
hungpham2017/conda
OS-agnostic, system-level binary package manager and ecosystem
Language:Python1 0
hungpham2017/fcdmft
Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
Language:Python0 0
hungpham2017/ipie
ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
Language:Python1 0
hungpham2017/libcint
general GTO integrals for quantum chemistry
Language:C1 0
hungpham2017/libwannier90
repo for the libwannier90 library to be used with pyWannier90
Language:Roff1 0
hungpham2017/LRDMET
LRDMET
Language:Fortran1 0
hungpham2017/pauxy
Python Based Auxiliary-Field Quantum Monte Carlo
Language:Python1 0
hungpham2017/pEMFT
Embedded Mean Field Theory for Periodic Systems
1 0
hungpham2017/programming_tips
A collections of programming tips that I have found very useful for myself as an amateur programmer.
2 0
hungpham2017/PurpleOnion
Simple quantum-chemical calculations for hydrogen lattice using s orbitals
1 0
hungpham2017/pygra
Python library to compute different properties of tight binding models
Language:Python1 0
hungpham2017/q-e
Mirror of the Quantum ESPRESSO repository
Language:Fortran2 0
hungpham2017/qcmpodmrg
An MPO-based DMRG code for Quantum Chemistry
Language:Python1 0
hungpham2017/qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.
Language:C++2 0
hungpham2017/shciscf
An interface to SHCI program Dice developed by Sharma group
Language:Python0 0
hungpham2017/taco
The Tensor Algebra Compiler (taco) computes tensor expressions on sparse and dense tensors
Language:C++1 0
hungpham2017/VASPy
Manipulating VASP files with Python.
Language:Python1 0
hungpham2017/wannier90
Official repository of the Wannier90 code
Language:Fortran1 0
hungpham2017/wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
Language:Fortran1 0