Fermi quantum chemistry program
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Updated
Apr 8, 2024 - Julia
Fermi quantum chemistry program
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
Variational Quantum Eigensolver with Fewer Qubits
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).
A Julia toolbox for coding self-consistent field algorithms
loss optimization under unitary constraint
Julia module for numerical solution of the Schrödinger equation and the DFT calculations of atoms.
Density Matrix Renormalization Group (DMRG) in Julia
A Hartree-Fock calculation demo for quantum chemistry
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