yaoyongxin
Quantum-classical embedding approach to simulate quantum materials. Gutzwiller density functional theory and rotationally-invariant Slave-Boson method.
US DOE's Ames Laboratory and Iowa State UniversityAmes, Iowa
Pinned Repositories
ascii-phonons
Blender extensions for illustrations of phonons
CyGutz
A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the Gutzwiller approximation or equivalently Slave-boson approach.
cygutz_work
Records of DFT+G-RISB calculations.
DCore
DMFT software for CORrelated Electrons
dft_tools
Interface to DFT codes
GQCE_PAM
Gutzwiller quantum-classical embedding calculations for the periodic Anderson model
Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
hubbardI
Hubbard I solver
pyglib
Python library for preprocessing, managing and postprocessing the (DFT+) Gutzwiller calculations.
QUAMBO
QUAsi-atomic Minimal Basis set Orbitals
yaoyongxin's Repositories
yaoyongxin/cygutz_work
Records of DFT+G-RISB calculations.
yaoyongxin/DCore
DMFT software for CORrelated Electrons
yaoyongxin/dft_tools
Interface to DFT codes
yaoyongxin/Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
yaoyongxin/hubbardI
Hubbard I solver
yaoyongxin/quambo_atomic_orbitals
A database of free and charged atomic orbitals for the periodic table.
yaoyongxin/bolos
An open source solver for the Boltzmann equation
yaoyongxin/cartan-quantum-synthesizer
Quantum Computing -- Unitary synthesis based on Cartan decomposition
yaoyongxin/CUED
Simulation package for light-matter interaction.
yaoyongxin/dftbplus
DFTB+ general package for performing fast atomistic simulations
yaoyongxin/dmft-ed
A General Purpose solver for the Dynamical Mean-Field Theory based on the Lanczos method. This code solves the DMFT problem in the Normal (N_up,N_dw), Superconducting (S_z) and non-SU(2) symmetric (N) cases.
yaoyongxin/Elk_interface-TRIQS
yaoyongxin/h5pytools
Simple commands to deal with hdf5 files.
yaoyongxin/irvsp
Please cite this code: J. Gao, Q. Wu, C. Persson, Z. Wang, Irvsp: To obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.
yaoyongxin/kite
KITE Quantum Transport Software v1.0
yaoyongxin/libra-code
yaoyongxin/linux_setup
Simple .vimrc I used.
yaoyongxin/mitiq
Mitiq is an open source toolkit for implementing error mitigation techniques on most current intermediate-scale quantum computers.
yaoyongxin/mudslide
Python implementation of Tully's Fewest Switches Surface Hopping
yaoyongxin/nessi
The NonEquilibrium Systems SImulation package.
yaoyongxin/netket
Machine learning algorithms for many-body quantum systems
yaoyongxin/pauxy
Python Based Auxiliary-Field Quantum Monte Carlo
yaoyongxin/pawpyseed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
yaoyongxin/pyband
band plot using python matplotlib
yaoyongxin/pyprocar
A Python library for electronic structure pre/post-processing
yaoyongxin/q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
yaoyongxin/time-dep-BCS
Numerical code for the time-dependent BCS equation
yaoyongxin/vasp2cif
A program that converts VASP POSCAR files to crystallographic information file format (CIF)
yaoyongxin/wannier-berri
Advanced tool for Wannier interpolation and integration of k-space integrals
yaoyongxin/wannier90_customized
Official repository of the Wannier90 code