sanshar / Dice

Related projects ⓘ

Alternatives and complementary repositories for Dice

• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆27Updated last week
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆30Updated last week
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆26Updated last year
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆33Updated 3 weeks ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆21Updated 2 years ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last week
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆33Updated last year
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆17Updated last year
• MatthewRHermes / mrh
  MRH's research code
  ☆19Updated this week
• sunqm / py-qc-book
  ☆19Updated last month
• sunqm / pbchf
  An example to implement PBC SCF
  ☆12Updated 6 years ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆39Updated 2 months ago
• evangelistalab / forte
  ☆51Updated this week
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆15Updated 11 years ago
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆67Updated this week
• edeprince3 / pdaggerq
  ☆45Updated 2 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆32Updated this week
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 6 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆9Updated last week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆79Updated 5 months ago
• JoonhoLee-Group / ipie
  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
  ☆54Updated 2 weeks ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• TREX-CoE / trexio
  TREX I/O library
  ☆48Updated this week
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆44Updated last year
• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆52Updated this week
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated 2 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆43Updated 5 months ago
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆30Updated last week
• Quantum-Dynamics-Hub / libra-code
  ☆51Updated this week
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago