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Pull requests: microsoft/qdk-chemistry

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Pull requests list

eri_use_atomics added as option to hamiltonian construction & ecp fix
#583 opened Jul 17, 2026 by vbarandun Loading…
6
Add robust phase estimation for randomized evolution
#582 opened Jul 16, 2026 by feisuxiaozhu Contributor Loading…
@feisuxiaozhu
14
Fix phase convention in iQPE
#581 opened Jul 16, 2026 by RushiGong Contributor • Draft
Define EOS in Docs documentation Improvements or additions to documentation ready-to-review A PR that is ready to be reviewed
#580 opened Jul 16, 2026 by mmoerchen Contributor Loading…
1
@mmoerchen
6
Fix flaky cubegen test bug Something isn't working ready-to-review A PR that is ready to be reviewed
#579 opened Jul 16, 2026 by mmoerchen Contributor Loading…
1
@mmoerchen
3
Add particle population analysis algorithm enhancement New feature or request ready-to-review A PR that is ready to be reviewed
#563 opened Jul 8, 2026 by nabbelbabbel Collaborator Loading… Release No. 4
@nabbelbabbel
24
Add quantum‑information orbital (QIO / QICAS) localizer
#562 opened Jul 7, 2026 by ConradJohnston Contributor Loading…
@ConradJohnston
120
Add CLI and MCP tooling
#561 opened Jul 6, 2026 by nabbelbabbel Collaborator • Draft Release No. 4
fix(rohf): handle linearly dependent bases where n_MO < n_AO (#543)
#554 opened Jun 29, 2026 by Adithyaphani Loading…
1
96
Adding propagator and hamiltonian_simulation docs
#551 opened Jun 26, 2026 by agamshayit-ms Contributor Loading…
1
17
MPS sequential state prep algorithm
#540 opened Jun 19, 2026 by YingrongChen Member • Draft
SOSSA hamiltonian builder and circuit mapper
#539 opened Jun 19, 2026 by YingrongChen Member • Draft
2
Add MCP, CLI and remote execution support
#527 opened Jun 12, 2026 by nabbelbabbel Collaborator • Draft Release No. 4
Add geometry optimization and geomeTRIC plugin enhancement New feature or request ready-to-review A PR that is ready to be reviewed
#522 opened Jun 8, 2026 by nabbelbabbel Collaborator Loading… Release No. 4
1
@nabbelbabbel
35
Small dev container refactor CI/CD CI/CD Pipelines & dev tools
#489 opened May 22, 2026 by eimrek Member Loading…
1
62
Add spin-free 1e-x2c Hamiltonian
#480 opened May 15, 2026 by agamshayit-ms Contributor • Draft
2
Add higher-order spin Hamiltonians for lattice models
#479 opened May 13, 2026 by wavefunction91 Collaborator • Draft
1
Add native cube generator backed by GauXC OrbitalEvaluator
#461 opened Apr 28, 2026 by ConradJohnston Contributor • Draft
1
Computing <S^2> for wavefunction containers
#457 opened Apr 24, 2026 by agamshayit-ms Contributor Loading… Release No. 4
1
@wavefunction91
47
implement scf_solver to run density fitted SCF
#452 opened Apr 20, 2026 by rainli323 Contributor Loading…
41
Add auxiliary basis set info to BasisSet
#441 opened Apr 15, 2026 by rainli323 Contributor Loading…
61
Implement sparse isometry with binary encoding
#435 opened Apr 6, 2026 by RushiGong Contributor Loading… Release No. 4
73
Add observable dynamic mode decomposition
#392 opened Mar 5, 2026 by BoqinZhang Contributor • Draft
@BoqinZhang
16
Density Fitting Hamiltonian Algorithm
#335 opened Jan 22, 2026 by rainli323 Contributor Loading…
@mmoerchen
150
ProTip! Exclude everything labeled bug with -label:bug.