Shu Yinan (舒逸楠)

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Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
Benjamin G LevineStony Brook UniversityVerified email at stonybrook.edu
Zhang Linyao (张林瑶)Harbin Institute of TechnologyVerified email at hit.edu.cn
Bryan Scott FalesPostdoctoral Scholar, PULSE Institute and Department of Chemistry, Stanford UniversityVerified email at slac.stanford.edu
Zoltán VargaDepartment of Chemistry, University of MinnesotaVerified email at umn.edu
Kelsey ParkerDukeVerified email at duke.edu
Wei-Tao PengPostdoctoral Researcher, UC San DiegoVerified email at ucsd.edu
Marcos DantusMichigan State University and California Institute of TechnologyVerified email at msu.edu
Edward G. HohensteinQC Ware CorporationVerified email at qcware.com
Hua GuoDistinguished Professor of Chemistry, University of New MexicoVerified email at unm.edu
Arkaprabha KonarAssistant Professor, Kent State UniversityVerified email at kent.edu
Rebecca AnthonyAssociate Professor of Mechanical Engineering, Michigan State UniversityVerified email at msu.edu
Uwe KortshagenDepartment of Mechanical Engineering, University of MinnesotaVerified email at umn.edu
Xuefei XuTsinghua UniversityVerified email at umn.edu

Shu Yinan (舒逸楠)

University of Minnesota

Verified email at umn.edu - Homepage

Theoretical Chemistry Material Science Electronic Structure Theory Photodynamics Deep Learning


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Simulated evolution of fluorophores for light emitting diodes Y Shu, BG Levine The Journal of chemical physics 142 (10), 2015	88	2015
Defect-induced conical intersections promote nonradiative recombination Y Shu, BS Fales, BG Levine Nano letters 15 (9), 6247-6253, 2015	62	2015
Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states Y Shu, EG Hohenstein, BG Levine The Journal of chemical physics 142 (2), 2015	58	2015
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023	53	2023
Diabatic states of molecules Y Shu, Z Varga, S Kanchanakungwankul, L Zhang, DG Truhlar The Journal of Physical Chemistry A 126 (7), 992-1018, 2022	42	2022
CAS without SCF—Why to use CASCI and where to get the orbitals BG Levine, AS Durden, MP Esch, F Liang, Y Shu The Journal of Chemical Physics 154 (9), 2021	41	2021
Polyatomic molecules under intense femtosecond laser irradiation A Konar, Y Shu, VV Lozovoy, JE Jackson, BG Levine, M Dantus The Journal of Physical Chemistry A 118 (49), 11433-11450, 2014	38	2014
Dual-Functional Tamm–Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S1/S0 Conical Intersections Y Shu, KA Parker, DG Truhlar The Journal of Physical Chemistry Letters, 2017	36	2017
Doubly Excited Character or Static Correlation of the Reference State in the Controversial 2¹A_g State of trans-Butadiene? Y Shu, DG Truhlar Journal of the American Chemical Society 139 (39), 13770-13778, 2017	35	2017
Diabatization by machine intelligence Y Shu, DG Truhlar Journal of Chemical Theory and Computation 16 (10), 6456-6464, 2020	34	2020
Conical Intersections at the Nanoscale: Molecular Ideas for Materials BG Levine, MP Esch, BS Fales, DT Hardwick, WT Peng, Y Shu Annual Reviews of Physical Chemistry 70, 2019	34	2019
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors BS Fales, Y Shu, BG Levine, EG Hohenstein The Journal of chemical physics 147 (9), 2017	33	2017
Understanding nonradiative recombination through defect-induced conical intersections Y Shu, BS Fales, WT Peng, BG Levine The Journal of Physical Chemistry Letters 8 (17), 4091-4099, 2017	32	2017
Surface structure and silicon nanocrystal photoluminescence: the role of hypervalent silyl groups Y Shu, UR Kortshagen, BG Levine, RJ Anthony The Journal of Physical Chemistry C 119 (47), 26683-26691, 2015	31	2015
Do excited silicon–oxygen double bonds emit light? Y Shu, BG Levine The Journal of Physical Chemistry C 118 (14), 7669-7677, 2014	31	2014
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen Y Shu, J Kryven, AG Sampaio de Oliveira-Filho, L Zhang, GL Song, SL Li, ... The Journal of Chemical Physics 151 (10), 2019	28	2019
Dynamics of recombination via conical intersection in a semiconductor nanocrystal WT Peng, BS Fales, Y Shu, BG Levine Chemical Science 9 (3), 681-687, 2018	28	2018
Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters Y Shu, BG Levine The Journal of Chemical Physics 139 (7), 2013	28	2013
Nonradiative recombination via conical intersections arising at defects on the oxidized silicon surface Y Shu, BG Levine The Journal of Physical Chemistry C 119 (4), 1737-1747, 2015	27	2015
Nonadiabatic dynamics algorithms with only potential energies and gradients: Curvature-driven coherent switching with decay of mixing and curvature-driven trajectory surface … Y Shu, L Zhang, X Chen, S Sun, Y Huang, DG Truhlar Journal of Chemical Theory and Computation 18 (3), 1320-1328, 2022	26	2022

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