brianz98
Follow
Stars
A massively parallel, high-level programming language
A Wick theorem kernel written in C++ and interfaced with Python
Enhanced implementation of Second Quantization Algebra
Python-based implementation of electronic structure theories for simulating spectroscopic properties
Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.
A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
Projectively-optimized geminal and "fancyCI" wavefunctions
A Python script for rendering cube files generated by Psi4
Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
Lightspeed: An ultralight C++/Python library for electronic structure theory development
Python workflow for DP5 and DP4 analysis of organic molecules
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
A pedagogical implementation of Autograd
Multiresolution Adaptive Numerical Environment for Scientific Simulation
SOC integrals generator with atomic mean field approximation
Python Based Auxiliary-Field Quantum Monte Carlo
Automatically generates FORtran Documentation from comments within the code.
Notes on Electronic Structure Theory (CHEM532)
A coding tutorial for modern quantum chemistry, in modern Fortran
C++ tensors with broadcasting and lazy computing
Davidson eigensolver implemented in Fortran
A modern Fortran implementation of Davidson's method of sparse matrix diagonalisation