Howdy, Tangelo users !
It's been a few months since the last release and things have been a little quiet on the repository: this is only temporary !
A bit before Christmas last year, Good Chemistry Company was acquired by SandboxAQ, and we're excited to take this project and its community to the next level as part of SandboxAQ. Since the beginning of the year, we already got to participate in QHack, the NYUAD hackathon, and you will see us at the BIG quantum hackathon in Paris in a few days as well as at QCE24 (IEEE quantum week) for our tutorial "Exploring Chemistry Workflows for Current and Future Quantum Computers with Tangelo"
SandboxAQ will make a more complete official announcement soon about Tangelo, and move the project to SandboxAQ's Github. This should not change anything for our users in practice: we'll try to make sure there are no broken hyperlinks in our documentation and tutorials ;)
We're seeing a lot of interest in Tangelo for applications in materials design and drug discovery: as always, we welcome your feedback, questions, bug reports, feature suggestions, and contributions of any kind to the project. Don't be shy ! This is your chance to steer the developments in a direction that better supports your interests and propels your research.
🎉 A Tangelo user recently got his first publication as first author in a journal: Simulating Vibronic Spectra by Direct Application of Doktorov Formulas on a Superconducting Quantum Simulator. What will you do with Tangelo ? 🍊
Credits
This release was possible thanks to the contributions of @alexfleury-sb and @ValentinS4t1qbit, and the feedback of researchers from various institutions that suggested features and fixes.
Highlights of this release:
- DMET now works with Hartree-Fock and MP2 solvers. We currently do not support UHF mean field, but are looking into it.
- DMET users can now specify a callable (function) to define an active space for fragments. See short example here.
- Tangelo was modified to support Qiskit v1.0 and more recent versions of
qiskit-ibm-runtimefor hardware experiments.
Misc
- Python 3.8 is no longer supported in our automated tests and was replaced by Python 3.12. We let you refer to the respective installation requirements for dependencies (Pennylane, Qulacs, Psi4, etc) if necessary.
