Arif-PhyChem / MLQD

Related projects ⓘ

Alternatives and complementary repositories for MLQD

• CrawfordGroup / MLQM
  Machine-learning quantum mechanics
  ☆10Updated 4 years ago
• jjgoings / VQE
  Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen
  ☆15Updated 3 years ago
• tehruhn / bofin
  BoFiN HEOM Python version.
  ☆16Updated last year
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆29Updated 3 weeks ago
• tatsushi-ikeda / pyheom
  PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory
  ☆15Updated last year
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆13Updated last year
• berkelbach-group / pyrho
  a python package for reduced density matrix techniques
  ☆14Updated 4 years ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆26Updated last year
• frankwswang / Quiqbox.jl
  Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…
  ☆31Updated 6 months ago
• jwa7 / quantum_HEOM
  A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.
  ☆20Updated 2 years ago
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆21Updated 4 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆33Updated last year
• skmin-lab / unixmd
  ☆20Updated 4 months ago
• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆52Updated this week
• evangelistalab / qforte
  ☆49Updated 2 months ago
• ZhaoYilin / moha
  MOHA: MOlecular HAmiltonian
  ☆14Updated last year
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆56Updated 2 years ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 3 months ago
• nmardirossian / PySCF_Tutorial
  ☆29Updated 6 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆41Updated 4 years ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆33Updated 3 weeks ago
• freude / negf
  The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…
  ☆12Updated 5 years ago
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 3 years ago
• QMCPACK / qmcpack_workshop_2019
  QMCPACK Users Workshop 2019
  ☆13Updated 5 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆17Updated 3 weeks ago
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated last year
• Open-Quantum-Platform / openqp
  The main repository of Open Quantum Platform (OpenQP)
  ☆23Updated this week