Arif-PhyChem / MLQDLinks
MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics
☆16Updated last year
Alternatives and similar repositories for MLQD
Users that are interested in MLQD are comparing it to the libraries listed below
Sorting:
- ☆55Updated last year
- Machine-learning quantum mechanics☆10Updated 5 years ago
- a python package for reduced density matrix techniques☆16Updated 5 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 6 years ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆11Updated 3 years ago
- An implementation combining FermiNet with effective core potential (ecp). For paper, see https://arxiv.org/abs/2108.11661.☆16Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Quantum dynamics package based on tensor network states☆62Updated 2 weeks ago
- davidson iterative diagonalizer☆12Updated 4 years ago
- MPI parallelization for PySCF☆34Updated last year
- ☆30Updated 7 years ago
- Python library for real space quantum Monte Carlo☆96Updated 2 weeks ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated last month
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆17Updated 7 months ago
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆66Updated last week
- Files for QMC Workshop 2021☆58Updated 3 years ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.☆10Updated 2 weeks ago
- Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen☆15Updated 4 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 6 months ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Updated last week
- Mathematical Introduction to Electronic Structure Theory☆47Updated 6 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated 2 months ago
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- A library of density matrix embedding theory (DMET).☆37Updated 10 months ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆119Updated 3 years ago
- Quantum computational chemistry based on TensorCircuit☆70Updated 4 months ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆42Updated 3 years ago