Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules
Paweł Wójcik, Taras Khvorost, Guanming Lao, Guozhu Zhu, Antonio Macias Jr, Justin Caram, Wesley Campbell, Miguel García-Garibay, Eric Hudson, Anastassia Alexandrova, and Anna I. Krylov
December 19, 2024 | https://pubs.acs.org/doi/full/10.1021/acs.jpca.4c06320
Bottom-up approach to scalable growth of molecules capable of optical cycling
Guanming Lao, Taras Khvorost, Antonio Macias Jr., Harry W. T. Morgan, Robert H. Lavroff, Ryan Choi, Haowen Zhou, Denis Usvyat, Guo-Zhu Zhu, Miguel A. García-Garibay, Anastassia N. Alexandrova, Eric R. Hudson, and Wesley C. Campbell
Submitted: November 5, 2024 | https://arxiv.org/abs/2411.03199
State-Interaction Approach for Evaluating g-Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks
Sven Kähler, Antonio Cebreiro-Gallardo, Pavel Pokhilko, David Casanova, and Anna I. Krylov
September 29, 2023 | https://pubs.acs.org/doi/10.1021/acs.jpca.3c04134
Origin of Magnetic Anisotropy in Nickelocene Molecular Magnet and Resilience of Its Magnetic Behavior
Maristella Alessio, Saikiran Kotaru, Goran Giudetti, and Anna I. Krylov
February 9, 2023 | https://pubs.acs.org/doi/10.1021/acs.jpcc.2c05940?fig=tgr1&ref=pdf
Physical Chemistry of Quantum Information Science
Tanya Zelevinsky, Artur F. Izmaylov, and Anastassia N. Alexandrova
December 14, 2023 | https://pubs.acs.org/doi/10.1021/acs.jpca.3c07317
Aperiodic fragments in periodic solids: Eliminating the need for supercells and background charges in electronic structure calculations of defects
Robert H. Lavroff, Daniel Kats, Lorenzo Maschio, Nikolay Bogdanov, Ali Alavi, Anastassia N. Alexandrova, Denis Usvyat
Submitted: June 5, 2024 | https://arxiv.org/abs/2406.03373
Dual Optical Cycling Centers Mounted on an Organic Scaffold: New Insights from Quantum Chemistry Calculations and Symmetry Analysis
Taras Khvorost, Paweł Wójcik, Cecilia Chang, Mia Calvillo, Claire Dickerson, Guanming Lao, Eric R. Hudson, Anna I. Krylov, and Anastassia N. Alexandrova
May 20, 2024 | https://pubs.acs.org/doi/10.1021/acs.jpclett.4c00623
A Simple Algorithm for Converting Random Number Generator Outputs to Universal Distributions to Aid Teaching and Research in Modern Physical Chemistry
Barry Y. Li, Tim Duong, Daniel Neuhauser, Anastassia N. Alexandrova, and Justin R. Caram
Submitted: July 3, 2024 | https://chemrxiv.org/engage/chemrxiv/article-details/6684060b5101a2ffa8292028
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, and Eric R. Hudson
January 10, 2024 | https://pubs.acs.org/doi/10.1021/acs.jpclett.3c03177
Elucidating Ultranarrow 2F7/2 to 2F5/2 Absorption in Ytterbium(III) Complexes
Barry Y. Li, Claire E. Dickerson, Ashley J. Shin, Changling Zhao, Yi Shen, Yongjia He, Paula L. Diaconescu, Anastassia N. Alexandrova, and Justin R. Caram
July 2, 2023 | https://pubs.rsc.org/en/content/articlelanding/2024/sc/d4sc02944e
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, and Tanya Zelevinsky
October 20, 2023 | https://doi.org/10.1103/PhysRevResearch.5.043070
Single molecule superradiance for optical cycling
Claire E. Dickerson, Anastassia N. Alexandrova, Prineha Narang, and John P. Philbin
Submitted: October 3, 2023 | https://arxiv.org/abs/2310.01534
Fully Saturated Hydrocarbons as Hosts of Optical Cycling Centers
Claire E. Dickerson, Cecilia Chang, Han Guo, and Anastassia N. Alexandrova
December 15, 2022 | https://pubs.acs.org/doi/10.1021/acs.jpca.2c06647
Spin-orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations
Saikiran Kotaru, Pavel Pokhilko, and Anna I. Krylov
December 14, 2022 | https://doi.org/10.1063/5.0130868
Laser spectroscopy of aromatic molecules with optical cycling centers: strontium (I) phenoxides
Guanming Lao, Guo-Zhu Zhu, Claire E. Dickerson, Benjamin L. Augenbraun, Anastassia N. Alexandrova, Justin R. Caram, Eric R. Hudson, and Wesley C. Campbell
November 15, 2022 | https://pubs.acs.org/doi/10.1021/acs.jpclett.2c03040
Toward liquid cell quantum sensing: Ytterbium complexes with ultra-narrow absorption
Ashley J. Shin, Changling Zhao, Yi Shen, Claire E. Dickerson, Barry Y. Li, Hootan Roshandel, Daniel Bím, Timothy L. Atallah, Paul H. Oyala, Yongjia He, Lianne K. Alson, Tyler A. Kerr, Anastassia N. Alexandrova, Paula L. Diaconescu, Wesley C. Campbell, and Justin R. Caram
August 8, 2024 | https://www.science.org/doi/10.1126/science.adf7577
Pathway toward Optical Cycling and Laser Cooling of Functionalized Arenes
Debayan Mitra, Zack D. Lasner, Guo-Zhu Zhu, Claire E. Dickerson, Benjamin L. Augenbraun, Austin D. Bailey, Anastassia N. Alexandrova, Wesley C. Campbell, Justin R. Caram, Eric R. Hudson, and John M. Doyle
July 28, 2022 | https://doi.org/10.1021/acs.jpclett.2c01430
On the prospects of optical cycling in diatomic cations: effects of transition metals, spin-orbit couplings, and multiple bonds
Paweł Wójcik, Eric R. Hudson, and Anna I. Krylov
July 25, 2022 | https://doi.org/10.1080/00268976.2022.2107582
Previous Publications from the Team Related to the Topic of the CCI
Functionalizing aromatic compounds with optical cycling centers
Guo-Zhu Zhu, Debayan Mitra, Benjamin L. Augenbraun, Claire E. Dickerson, Michael J. Frim, Guanming Lao, Zack D. Lasner, Anastassia N. Alexandrova, Wesley C. Campbell, Justin R. Caram, John M. Doyle, and Eric R. Hudson
July 25, 2022 | https://doi.org/10.1038/s41557-022-00998-x
Optical Cycling Functionalization of Arenes
Claire E. Dickerson, Han Guo, Guo-Zhu Zhu, Eric R. Hudson, Justin R. Caram, Wesley C. Campbell, and Anastassia N. Alexandrova
April 20, 2021 | https://doi.org/10.1021/acs.jpclett.1c00733
Franck-Condon Tuning of Optical Cycling Centers by Organic Functionalization
Claire E. Dickerson, Han Guo, Ashley J. Shin, Benjamin L. Augenbraun, Justin R. Caram, Wesley C. Campbell, and Anastassia N. Alexandrova
March 26, 2021 | https://doi.org/10.1103/PhysRevLett.126.123002
Surface chemical trapping of optical cycling centers
Han Guo, Claire E. Dickerson, Ashley J. Shin, Changling Zhao, Timothy L. Atallah, Justin R. Caram, Wesley C. Campbell, and Anastassia N. Alexandrova
September 21, 2020 | https://doi.org/10.1039/D0CP04525J