Alternatives and similar repositories for qmcpack_workshop_2019

Users that are interested in qmcpack_workshop_2019 are comparing it to the libraries listed below

• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆39Updated 2 years ago
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆58Updated 3 years ago
• dceresoli / PStudio
  Pseudopotential Studio
  ☆20Updated 4 years ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆13Updated 7 years ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆37Updated 9 months ago
• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• DMFTwDFT-project / DMFTwDFT3
  A framework to treat strongly correlated materials using beyond-DFT methods
  ☆25Updated 4 years ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated last week
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆39Updated 3 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated 3 weeks ago
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆22Updated 5 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆42Updated 5 years ago
• TRIQS / tutorials
  A set of ipython and c++ tutorials
  ☆21Updated last month
• materialstheory / soliDMFT
  soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.
  ☆15Updated 3 years ago
• anharmonic / d3q
  D3Q + thermal2
  ☆26Updated 2 weeks ago
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆29Updated 6 months ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆38Updated 2 weeks ago
• f-fathurrahman / ImplementingDFT
  Draft for my book about implementing density functional theory
  ☆20Updated 7 months ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆56Updated last month
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆95Updated last week
• michaelschueler / dynamics-w90
  A collection of codes to compute dynamics and response quantities from Wannier90 output
  ☆13Updated last month
• FermiQC / GaussianBasis.jl
  Package to handle integrals over Gaussian-type atomic orbitals.
  ☆32Updated last month
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆39Updated 2 years ago
• Frost-group / PolaronMobility.jl
  Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…
  ☆32Updated 5 months ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 6 years ago
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆64Updated this week
• JuDFTteam / FLEUR
  Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
  ☆15Updated this week
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆36Updated 2 years ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated last month