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A machine learning workflow for calculating the electron-phonon coupling (EPC)
An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
Flexible neural quantum states based on QuSpin, JAX, and Equinox
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum
A JAX-based Differentiable Density Functional Theory Framework for Materials
QMC and QMCPACK Summer School 2025
Matrix product state based solver of the Gross-Pitaevskii equation, using the tensor cross interpolation algorithm.
A generic and interoperable high-performance Lanczos-based ED solver for Quantum Impurity problems https://scipost.org/10.21468/SciPostPhysCodeb.58
Based off of the following paper,
Computationally cheap method to calculate electron-phonon coupling from frozen phonon calculations in large systems using phonopy and Quantum ESPRESSO
C++ library for Exact Diagonalization of quantum many-body systems
Library for GPU-accelerated simulation of infinite projected entangled-pair states (iPEPS)
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HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals
General purpose stochastic series expansion quantum Monte Carlo code.
A high performance N-dimensional array library for Rust
This codebase is a collection of methods to implement analytical inversions of one-sided or causal time convolution with a known kernel. These methods are broadly applicable to the inversion of Vol…
Codes used for performing SCF calculations with MPO formed 1D and 2D super-moire Hamiltonian
torchami: Library for Algorithmic Matsubara Integration built using libtorch
LibRPA is a library offering access to physical properties computed using many-body perturbation theory.
Importance sampling and variational quantum Monte Carlo for Rimu.jl