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The Journal of Physical Chemistry. A|May 23, 2022
Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate ComplexesJan-Niklas Boyn, Lauren E McNamara, John S Anderson, et al.The Journal of Physical Chemistry. A|July 26, 2014
Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluoroneAndrew M Sand, Claire Liu, Andrew J S Valentine, et al.The Journal of Physical Chemistry Letters|February 21, 2025
Machine Learning of Two-Electron Reduced Density Matrices for Many-Body ProblemsLuis H Delgado-Granados, LeeAnn M Sager-Smith, Kristina Trifonova, et al.Physical Review Letters|January 21, 2022
Quantum Simulation of Open Quantum Systems Using a Unitary Decomposition of OperatorsAnthony W Schlimgen, Kade Head-Marsden, LeeAnn M Sager, et al.The Journal of Physical Chemistry Letters|January 29, 2025
A Molecular Perspective of Exciton Condensation from Particle-Hole Reduced Density MatricesLillian I Payne Torres, Anna O Schouten, LeeAnn M Sager-Smith, et al.The Journal of Chemical Physics|January 1, 2022
Quantum-classical hybrid algorithm for the simulation of all-electron correlationJan-Niklas Boyn, Aleksandr O Lykhin, Scott E Smart, et al.Inorganic Chemistry|November 15, 2023
Origin of Weak Magnetic Coupling in a Dimanganese(II) Complex Bridged by the Tetrathiafulvalene-Tetrathiolate RadicalChen-Yu Lien, Jan-Niklas Boyn, Sophie W Anferov, et al.Chemical Science|June 4, 2021
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compoundsJiaze Xie, Jan-Niklas Boyn, Alexander S Filatov, et al.Journal of the American Chemical Society|August 29, 2022
Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid ComplexesLauren E McNamara, Jan-Niklas Boyn, Christopher Melnychuk, et al.Journal of Chemical Theory and Computation|January 15, 2026
Qumode-Based Variational Quantum Eigensolver for Molecular Excited StatesRishab Dutta, Cameron Cianci, Alexander V Soudackov, et al.Pageof 14