Our Team

This project requires computation for predictions of new molecular species hosting quantum functionalities (PI, Anastassia Alexandrova, UCLA), new theoretical methods to enable some of the predictions (Anna Krylov, USC), synthesis to make the predicted molecules (Miguel Garcia-Garibay, UCLA), spectroscopy to test them (Justin Caram, UCLA), and QIS experts to tailor to desired applications and provide authentic assessment of resulting functionality (Eric Hudson, UCLA).


Achieving quantum enhancement in sensing, communication, and computing requires the high-fidelity preparation, maintenance, and readout of defined quantum states, which then would be resistant to decoherence and amenable to entanglement. So far, the most successful systems that exhibit such clean quantum states are those of extreme simplicity: atoms, very small molecules in vacuo, and defects in solids. Because the electronic states in these systems are “closed”, i.e. strictly localized to an atom or a defect, they can be optically cycled without dissipation to the environment, and decoherence can be managed. However, what is gained in coherence, is lost in system complexity and thus flexibility, scalability and eventual practicability. This chemistry Center will use the rules of chemistry to substantially expand the repertoire of systems, and therefore the capabilities, available for QIS. We will design molecules that carry qubit functionalities (or quantum functional groups), by using chemical complexity rather than avoiding it. Since molecules are identical and can be synthesized in molar quantities, they can be assembled into scalable, next generation quantum information platforms – a combination of features not yet realized. In this way, the Center will enable the quantum leap, and open a new branch of chemistry: chemistry of QIS.

Broader Impacts

The Center will educate researchers at the intersection of traditional disciplines, where the future of QIS resides. It will recruit students at all levels and from diverse backgrounds, using innovative recruiting strategies, and with defined metrics of success. Promoting women and underrepresented groups will be central to all our activities. The Center will make a significant effort toward community building through organizing symposia, bootcamps, workshops, cross-departmental courses, innovative modules for undergraduate classes, and regular communication of all researchers of the Center, from all involved backgrounds. Outreach to the public will be done using established and successful platforms, as a prototype for expansion in Phase II.


Jan. 10, 2024 Extending the Large Molecule Limit: The Role of Fermi Resonance in Developing a Quantum Functional Group Guo-Zhu Zhu, Guanming Lao, Claire E. Dickerson, Justin R. Caram, Wesley C. Campbell, Anastassia N. Alexandrova, Eric R. Hudson

Oct. 20, 2023 Probing the limits of optical cycling in a predissociative diatomic molecule Qi Sun, Claire E. Dickerson, Jinyu Dai, Isaac M. Pope, Lan Cheng, Daniel Neuhauser, Anastassia N. Alexandrova, Debayan Mitra, Tanya Zelevinsky

Oct. 3, 2023 (Submitted) Single molecule superradiance for optical cycling Claire E. Dickerson, Anastassia N. Alexandrova, Prineha Narang, John P. Philbin

Jul. 25, 2023 On the prospects of optical cycling in diatomic cations: effects of transition metals, spin–orbit couplings, and multiple bonds Paweł Wójcika, EricR.Hudson, Anna I. Krylov

Dec. 15, 2022 Fully Saturated Hydrocarbons as Hosts of Optical Cycling Centers Claire E. Dickerson, Cecilia Chang, Han Guo, Anastassia N. Alexandrova

Dec. 14, 2022 | Spin-orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations Saikiran Kotaru, Pavel Pokhilko, Anna I. Krylov

CCI Headquarters

Department of Chemistry and Biochemistry, UCLA

607 Charles E. Young Drive East
Los Angeles, CA 90095-1569


Phone Number: +1(310)825-3769

E-mail: ana@chem.ucla.edu