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/QUAMBO
QUAsi-atomic Minimal Basis set Orbitals
yaoyongxin/amelethdf-fortran
yaoyongxin/csm
An Introduction to Computer Simulation Methods
yaoyongxin/DeerQMC
Determinantal Quantum Monte Carlo implemented in Python, Numpy, and Scipy
yaoyongxin/detqmc
Generic C++ code for replica exchange determinantal quantum Monte Carlo (DQMC) simulations of strongly correlated itinerant electron systems in condensed matter physics. Includes implementations for the O(N) metallic spin density wave model and the repulsive Hubbard model.
yaoyongxin/gutzwiller_single_imp_phsym
yaoyongxin/gutzwiller_slave-bosons
yaoyongxin/Hubbard-GPU
Calculate the groundstate energy of 1D and 2D Fermi-Hubbard model on the GPU with Cuda.
yaoyongxin/hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
yaoyongxin/LqsgwFlapw
Linearized self-consistent quasiparticle GW method
yaoyongxin/ModeMap
A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
yaoyongxin/NECI_STABLE
Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
yaoyongxin/Phonons
A collection of structures, force constants and phonon data obtained from first-principles calculations
yaoyongxin/scipy
Scipy library main repository
yaoyongxin/scsbz
Mean-field self-consistent equations for slave-boson superconductivity.
yaoyongxin/slaveparticles
Educative code on Slave Particles
yaoyongxin/surfGF
surface green function calculation
yaoyongxin/triqs
a Toolbox for Research on Interacting Quantum Systems
yaoyongxin/VASP
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
yaoyongxin/vasp_unfold
yaoyongxin/vimrc
The ultimate Vim configuration: vimrc