QDK/Chemistry v2.3.0

See the CHANGELOG and DOCUMENTATION for a high-level overview of the features, changes, and bugfixes in this release.

What's Changed

• Add double factorization as an algorithm by Yingrong Chen (@YingrongChen) in #687
• ci: restore coverage reporting, wire into GitHub's native UI, and cut CI compute ~30% by Loris Ercole (@lorisercole) in #648
• SOSSA hamiltonian builder and circuit mapper by Yingrong Chen (@YingrongChen) in #539
• Fix documentation build and tutorial compatibility CI by Loris Ercole (@lorisercole) in #732
• eri_use_atomics added as option to hamiltonian construction & ecp fix by vbarandun in #583
• Fix local ECP term in PySCF basis conversion by Agam Shayit (@agamshayit-ms) in #737
• Add sparse Pauli storage for qubit operators by Agam Shayit (@agamshayit-ms) in #738
• Add lattice geometry, labeled lattice graphs and flavored spin models by Agam Shayit (@agamshayit-ms) in #739
• Add Trotter boundary fusion, exponential-minimizing ordering and mappers by Agam Shayit (@agamshayit-ms) in #740
• Speed up GH CI by 56% and add Linux ARM64 coverage by Loris Ercole (@lorisercole) in #745
• Temporarily pin qdk to 1.32.3 by Loris Ercole (@lorisercole) in #762
• Bump urllib3 from 2.7.0 to 2.8.0 in /.pipelines by Dependabot (@dependabot)[bot] in #750
• Bump the github-actions group with 2 updates by Dependabot (@dependabot)[bot] in #763
• Add spin-free 1e-x2c Hamiltonian by Agam Shayit (@agamshayit-ms) in #480
• Represent static Hamiltonians as DrivenQubitHamiltonian(h0) by Agam Shayit (@agamshayit-ms) in #742
• Address #738–#740 follow-ups: product-formula maps, step bounds, roundoff scheduling, Kitaev docs by Agam Shayit (@agamshayit-ms) in #760
• Added resource estimate examples for spin hamiltonians by Agam Shayit (@agamshayit-ms) in #747
• Accept HamiltonianDescription inputs in HamiltonianUnitaryBuilder and QPE by Yingrong Chen (@YingrongChen) in #766
• Add ExaChem CI integration for GHA and ADO pipelines + reorganize build scripts by Loris Ercole (@lorisercole) in #685
• Hubbard plaquette Trotter builder and sine-window standard QPE by Yingrong Chen (@YingrongChen) in #764
• Fix conflict between BLAS inner thread pool and the preset thread pool calling GauXC, by transferring BLAS vendor only by Boqin Zhang (@BoqinZhang) in #674
• added tests for new spin resource estimation notebooks by Agam Shayit (@agamshayit-ms) in #770
• Make phase inversion correct for powered unitary representations by Rushi Gong (@RushiGong) in #695
• Add Hamming-weight phasing to the controlled Pauli-sequence mappers by Yingrong Chen (@YingrongChen) in #769
• Add azure quantum as circuit executor backend by Rushi Gong (@RushiGong) in #703
• Bump the github-actions group with 3 updates by Dependabot (@dependabot)[bot] in #774
• added support for qiskit 2.6.0 by Agam Shayit (@agamshayit-ms) in #777
• Move Q# test helpers out of the shipped project by Rushi Gong (@RushiGong) in #713
• Add spin-free x2c to the scf by Agam Shayit (@agamshayit-ms) in #693
• Add LayeredPartition support to vacuum-preserving grouper by Agam Shayit (@agamshayit-ms) in #771
• Add the SOSSA quantum resource estimation example by Yingrong Chen (@YingrongChen) in #730
• Release 2.3.0 by David Williams-Young (@wavefunction91) in #731

New Contributors

• vbarandun made their first contribution in #583

Full Changelog: v2.2.1...v2.3.0