x2dhf / x2dhf

Related projects ⓘ

Alternatives and complementary repositories for x2dhf

• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 3 months ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆13Updated last year
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆26Updated last year
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆21Updated 4 years ago
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆15Updated this week
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆19Updated 4 months ago
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 6 months ago
• nmayhall-vt / FermiCG
  ☆11Updated 2 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆33Updated 3 weeks ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆32Updated 2 weeks ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆17Updated last year
• materialstheory / soliDMFT
  soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.
  ☆14Updated 2 years ago
• AbinitioDGA / ADGA
  Abinitio Dynamical Vertex Approximation
  ☆14Updated 4 years ago
• UFParLab / aces4
  Parallel Computational Chemistry Application
  ☆18Updated 7 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆33Updated last year
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆18Updated 3 weeks ago
• TRIQS / tutorials
  A set of ipython and c++ tutorials
  ☆19Updated 5 months ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆30Updated last week
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆14Updated 4 months ago
• nessi-cntr / nessi
  The NonEquilibrium Systems SImulation package.
  ☆29Updated 6 months ago
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆44Updated last year
• lkwagner / StochasticSchool
  Materials used in a school on QMC methods
  ☆26Updated 5 years ago
• yangcal / symtensor
  Tensor Framework for Cyclic Symmetry
  ☆17Updated 2 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated last year
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆18Updated 3 months ago
• libnegf / libnegf
  ☆17Updated last week