Publications

Kewei Sun, Maxim Gelin, Kaijun Shen, and Yang Zhao, Optical-Cavity Manipulation Strategies of Conical Intersections Mediated Singlet Fission Systems, J. Phys. Chem. Lett. (Invited Perspective) 15 (2024). (pdf)

Erqin Hou, Kewei Sun, Maxim Gelin, and Yang Zhao, Finite temperature dynamics of the Holstein-Tavis-Cummings model, J. Chem. Phys. 160, 084116 (2024). (pdf)

Kaijun Shen, Maxim Gelin, Kewei Sun, and Yang Zhao, Dynamics of a Magnetic Polaron in an Antiferromagnet, Materials 17, 469 (2024). (pdf)

Yijia Qiang, Kewei Sun, Elisa Palacino-Gonzalez, Kaijun Shen, B. Jayachander Rao, Maxim Gelin, and Yang Zhao, Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: Theoretical study, J. Chem. Phys. 160, 054107 (2024). (pdf)

Kaijun Shen, Kewei Sun, Maxim Gelin, and Yang Zhao, Finite-Temperature Hole-Magnon Dynamics in an Antiferromagnet, J. Phys. Chem. Lett. 15, 447-453 (2024). (pdf) (DOI: 10.1021/acs.jpclett.3c03298)

Lixing Zhang, Maxim Gelin, and Yang Zhao, Dissipative Landau-Zener transitions in a three-level bow-tie model: accurate dynamics with the Davydov multi-D2 Ansatz, Adv. Quant. Tech. 7, 2300285 (2024). (pdf)

Xiangyu Xu, Kewei Sun, Maxim Gelin, and Yang Zhao, Contracted description of driven degenerate multilevel quantum systems, J. Chem. Phys. 159, 224113 (2023). (pdf)

Daniel Melvin, Fulu Zheng, Kewei Sun, Justin Tan, and Yang Zhao, Photon-assisted Landau Zener transition in a tunable Rabi dimer with the periodic harmonic driving coupled to the micromechanical resonator, Adv. Quant. Tech. 6, 2300232 (2023). (pdf)

Lixing Zhang, Lu Wang, Maxim Gelin, and Yang Zhao, Dynamics of dissipative Landau-Zener transitions in an anisotropic three-level system, J. Chem. Phys. 158, 204115 (2023). (pdf) (DOI: 10.1063/5.0150284)

Yang Zhao, The hierarchy of Davydov's Ansaetze: from guesswork to numerically "exact" many-body wave functions, J. Chem. Phys. (Invited Perspective) 158, 080901 (2023). (pdf) (DOI: 10.1063/5.0140002)

Kewei Sun, Kaijun Shen, Maxim Gelin, and Yang Zhao, Exciton Dynamics and Time-Resolved Fluorescence in Nanocavity-Integrated Monolayers of Transition-Metal Dichalcogenides, J. Phys. Chem. Lett. 14, 221-229 (2023). (Published online on Dec. 30, 2022) (pdf) (DOI: 10.1021/acs.jpclett.2c03511)

Yiting Bai, Wenjun Ni, Kewei Sun, Lipeng Chen, Lin Ma, Yang Zhao, Gagik Gurzadyan, and Maxim Gelin, Plenty of Room on the Top: Pathways and Spectroscopic Signatures of Singlet Fission from Upper Singlet States,J. Phys. Chem. Lett. 13, 11086-11094 (2022). (pdf) (DOI: 10.1021/acs.jpclett.2c03053)

Chenyi Zhang, Minghong Yu, Yiying Yan, Lipeng Chen, Zhiguo Lv, and Yang Zhao, Emission spectral non-Markovianity in qubit-cavity systems in the ultrastrong coupling regime, J. Chem. Phys. 157, 214116 (2022). (pdf) (DOI: 10.1063/5.0123871) (Journal link)

Kewei Sun, Maxim Gelin, and Yang Zhao, Accurate Simulation of Spectroscopic Signatures of Cavity-Assisted, Conical-Intersection-Controlled Singlet Fission Processes, J. Phys. Chem. Lett. 13, 4280-4288 (2022). (pdf) (DOI: 10.1021/acs.jpclett.2c00989)

Kewei Sun, Maxim Gelin, and Yang Zhao, Engineering Cavity Singlet Fission in Rubrene, J. Phys. Chem. Lett. 13, 4090-4097 (2022). (pdf) (DOI:10.1021/acs.jpclett.2c00801)

Kaijun Shen, Kewei Sun, and Yang Zhao, Simulation of emission spectra of transition-metal dichalcogenide monolayers with the multimode Brownian oscillator model, J. Phys. Chem. A 126, 2706-2715 (2022). (pdf)

Kewei Sun, Cunzhi Dou, Maxim Gelin, and Yang Zhao, Dynamics of disordered Tavis-Cummings and Holstein-Tavis-Cummings models, J. Chem. Phys. 156, 024102 (2022). (pdf)

Yang Zhao, Kewei Sun, Lipeng Chen, and Maxim Gelin, The hierarchy of Davydov's Ansaetze and its applications, WIREs Comp. Mol. Sci. 12, Issue 4, e1589 (2022). (pdf) (DOI: 10.1002/wcms.1589) Chosen for the Cover Image of WIREs Comp. Mol. Sci., Volume 12, Issue 4, July/August 2022. (pdf) (DOI: 10.1002/wcms.1632)

Yiying Yan, Tadele T. Ergogo, Zhiguo Lv, Lipeng Chen, JunYan Luo, and Yang Zhao, Lamb Shift and the Vacuum Rabi Splitting in a Strongly Dissipative Environment, J. Phys. Chem. Lett. 12, 9919-9925 (2021). (pdf) (DOI:10.1021/acs.jpclett.1c02791)

Kewei Sun, Xiaohui Liu, Wangjun Hu, Mingtao Zhang, Guankui Long, and Yang Zhao, Singlet fission dynamics and optical spectra of pentacene and its derivatives, Phys. Chem. Chem. Phys. 23, 12654 (2021). (pdf) (DOI:10.1039/d1cp00563d)

Lipeng Chen, Raffaele Borrelli, Dmitrii Shalashilin, Yang Zhao, and Maxim Gelin, Simulation of time- and frequency-resolved four-wave-mixing signals at finite temperature: a thermo-field dynamics approach, J. Chem. Theor. Comp. 17, 4359 (2021). (pdf) (DOI: 10.1021/acs.jctc.1c00259)

Fulu Zheng, Lipeng Chen, Jianbo Gao, and Yang Zhao, Fully Quantum Modeling of Exciton Diffusion in Mesoscale Light Harvesting Systems, Materials 14, 3291 (2021). (pdf)

Linliang Gao, Kewei Sun, Huiru Zheng, and Yang Zhao, A deep-learning approach to the dynamics of Landau-Zener transitions, Adv. Theor. Sim. (2021). (pdf) (DOI: 10.1002/adts.202100083)

Lu Wang, Fulu Zheng, Jiaming Wang, Frank Grossmann, and Yang Zhao, Schroedinger-cat states in Landau-Zener-Stueckelberg-Majorana interferometry: a multiple Davydov Ansatz approach, J. Phys. Chem. B 125 , 3184-3196 (2021). (pdf)

Lipeng Chen, Kewei Sun, Dmitrii Shalashilin, Maxim Gelin and Yang Zhao, Efficient simulation of time- and frequency-resolved four-wave-mixing signals with a Multi-configurational Ehrenfest approach, J. Chem. Phys. 154, 054105 (2021). (pdf)

Fulu Zheng, Yuejun Shen, Kewei Sun, and Yang Zhao, Photon-assisted Landau-Zener transitions in a periodically driven Rabi dimer coupled to a dissipative mode, J. Chem. Phys. 154, 044102 (2021). (pdf)

Kewei Sun, Quan Xu, Lipeng Chen, Maxim Gelin and Yang Zhao, Temperature effects on singlet fission dynamics mediated by a conical intersection, J. Chem. Phys. 153, 194106 (2020). (pdf)

Wangjun Hu, Kewei Sun, Quan Xu, Lipeng Chen, and Yang Zhao, Ultrafast dynamics in rubrene and its spectroscopic manifestation, J. Chem. Phys. 153, 174105 (2020). (pdf)

Yiying Yan, Lipeng Chen, Junyan Luo, and Yang Zhao, Variational approach to time-dependent fluorescence of a driven qubit, Phys. Rev. A 102, 023714 (2020). (pdf)

Bianjiang Yang, Baizhe He, Jiajun Wan, Sharvaj Kubal, and Yang Zhao, Applications of Neural Networks to Dynamics Simulation of Landau-Zener Transitions, Chem. Phys. 528, 110509 (2020). (pdf)

Kewei Sun, Zhongkai Huang, Maxim Gelin, Lipeng Chen, and Yang Zhao, Monitoring of singlet fission via two-dimensional photon-echo and transient-absorption spectroscopy: Simulations by multiple Davydov trial states, J. Chem. Phys. 151 (SF2019), 114102 (2019). (pdf)

Lipeng Chen, Maxim Gelin, Yang Zhao, and Wolfgang Domcke Mapping of Wave-Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study, J. Phys. Chem. Lett. 10, 5873 (2019). (pdf)

Xiao Liu, Yang Zhao, and John Z.H. Zhang, Molecular mechanism of ligand bindings to Zika virus at SAM site, Chem. Phys. Lett. 735, 136771 (2019). (pdf)

Michael Werther, Frank Grossmann, Zhongkai Huang, and Yang Zhao, Davydov-Ansatz for Landau-Zener-Stueckelberg- Majorana transitions in an environment: Tuning the survival probability via number state excitation, J. Chem. Phys. 150, 234109 (2019). (pdf)

Zhongkai Huang, Fulu Zheng, Yuyu Zhang, Yadong Wei, and Yang Zhao, Dissipative dynamics in a tunable Rabi dimer with periodic harmonic driving, J. Chem. Phys. 150, 184116 (2019). (pdf)

Zhongkai Huang, Masayuki Hoshina, Hajime Ishihara, and Yang Zhao, Transient dynamics of super Bloch oscillations of a one dimensional Holstein polaron under the influence of an external AC electric field, Annalen der Physik 531, 1800303 (2019). (pdf)

Fulu Zheng, Yuyu Zhang, Lu Wang, Yadong Wei, and Yang Zhao, Engineering photon delocalization in a Rabi dimer with a dissipative bath, Annalen der Physik 530, 1800351 (2018). (pdf)

Lipeng Chen, Maxim Gelin, Wolfgang Domcke, and Yang Zhao, Simulation of Femtosecond Phase-Locked Double-Pump Signals of Individual Light-Harvesting Complexes LH2, Journal of Physical Chemistry Letters 9, 4488 (2018). (pdf)

Nengji Zhou, Yuyu Zhang, Zhiguo Lv, and Yang Zhao, Variational study of two-impurity spin-boson model with a common Ohmic bath: Ground-state phase transitions, Annalen der Physik 530, 1800120 (2018). (pdf)

Lipeng Chen, Maxim Gelin, and Yang Zhao, Dynamics of the spin-boson model: A comparison of the multiple Davydov D1, D1.5, and D2 Ansatze, Chemical Physics 515, 108 (2018). (pdf) (DOI: https://doi.org/10.1016/j.chemphys.2018.08.041 )

Zhongkai Huang and Yang Zhao, Dynamics of dissipative Landau-Zener transitions, Physical Review A 97, 013803 (2018). (pdf)

Sid Bandyopadhyay, Zhongkai Huang, Kewei Sun, and Yang Zhao, Applications of neural networks to the simulation of dynamics of open quantum systems , Chemical Physics 515, 272 (2018). (pdf) (DOI: https://doi.org/10.1016/j.chemphys.2018.05.019 )

Zhongkai Huang, Sid Bandyopadhyay, and Yang Zhao, Role of exciton-phonon coupling in singlet fission, Annals of the Academy of Romanian Scientists Series on Physics and Chemistry 3, 67 (2018). (pdf)

Lipeng Chen and Yang Zhao, Finite Temperature Dynamics of a Holstein Polaron: the Thermal Field Dynamics Approach , Journal of Chemical Physics 147, 214102 (2017). (pdf)

Yuta Fujihashi, Lu Wang, and Yang Zhao, Direct evaluation of boson dynamics via finite-temperature time-dependent variation with multiple Davydov states, Journal of Chemical Physics 147, 234107 (2017). (pdf)

Lipeng Chen, Raffaele Borrelli, and Yang Zhao, Dynamics of Coupled Electron-Boson Systems With the Multiple Davydov D_1 Ansatz and the Generalized Coherent State, Journal of Physical Chemistry A 121, 8757 (2017). (pdf)

Zhongkai Huang, Yuta Fujihashi, and Yang Zhao, Effect of off-diagonal exciton-phonon coupling on intramolecular singlet fission, Journal of Physical Chemistry Letters 8, 3306 (2017). (pdf)

Alejandro Somoza, Kewei Sun, Rafael Molina, and Yang Zhao, Dynamics of coherence, localization and excitation transfer in disordered nanorings, Physical Chemistry Chemical Physics 19, 25996 (2017). (pdf)

Fulu Zheng, Sebastian Alberti, Sergei Tretiak, and Yang Zhao, Photoinduced Intra- and Intermolecular Energy Transfer in Chlorophyll a Dimer , J. Phys. Chem. B 121, 5331 (2017). (pdf)

Lu Wang, Yuta Fujihashi, Lipeng Chen,and Yang Zhao, Finite-temperature time-dependent variation with multiple Davydov states, J. Chem. Phys. 146, 124127 (2017). (pdf)

Zhongkai Huang, Lipeng Chen, Nengji Zhou, and Yang Zhao, Transient dynamics of a one-dimensional Holstein polaron under the influence of an external electric field, Annalen der Physik 529, 1600367 (2017). (pdf)

Yuta Fujihashi, Lipeng Chen, Akihito Ishizaki, Junling Wang, and Yang Zhao, Effect of high-frequency modes on singlet fission dynamics, J. Chem. Phys. 146, 044101 (2017). (pdf)

Zhongkai Huang, Lu Wang, Changqin Wu, Lipeng Chen, Frank Grossmann, and Yang Zhao, Polaron dynamics with off-diagonal coupling: beyond the Ehrenfest approximation, Phys. Chem. Chem. Phys. 19, 1655 (2017). (pdf)

Fulu Zheng, Mengting Jin, Tomas Mancal, and Yang Zhao, Study of Electronic Structures and Pigments-Protein Interactions in the Reaction Center of Thermochromatium Tepidum with a Dynamic Environment, Journal of Physical Chemistry B 120, 10046 (2016). (pdf)

Lipeng Chen, Jing Lu, Guankui Long, Fulu Zheng, Jingping Zhang, and Yang Zhao, Optical and transport properties of single crystal rubrene: a theoretical study, Chemical Physics 481, 198(2016). (pdf)

Frank Grossmann, Michael Werther, Lipeng Chen, and Yang Zhao, Generalization of the Davydov Ansatz by squeezing, Chem. Phys. 481, 99 (2016). (pdf)

Kewei Sun, Yuta Fujihashi, Aki Ishizaki, and Yang Zhao, A variational master equation approach to quantum dynamics with off-diagonal coupling in a sub-Ohmic environment, J. Chem. Phys. 144, 204106 (2016). (pdf)

Lipeng Chen, Maxim Gelin, Vladimir Chernyak, Wolfgang Domcke, and Yang Zhao, Dissipative dynamics at conical intersections: Simulations with the hierarchy equations of motion method, Faraday Discussions 194, 61 (2016). (pdf)

Tianrui Deng, Yiying Yan, Lipeng Chen, and Yang Zhao, Dynamics of the two-spin spin-boson model with a common bath, J. Chem. Phys. 144, 144102 (2016). (pdf)

Nengji Zhou, Lipeng Chen, Zhongkai Huang, Kewei Sun, Yoshitaka Tanimura, and Yang Zhao, Fast, Accurate Simulation of Polaron Dynamics and Multidimensional Spectroscopy by Multiple Davydov Trial States, J. Phys. Chem. A 120, 1562 (2016). (pdf)

Yiying Yan, Zhiguo Lv, Hang Zheng, and Yang Zhao, Exotic fluorescence spectrum of a superconducting qubit driven simultaneously by longitudinal and transversal fields, Phys. Rev. A 93, 033812 (2016). (pdf)

Rafael A. Molina, Enrique Benito-Matias, Alejandro Somoza, Lipeng Chen, and Yang Zhao, Superradiance at the localization-delocalization crossover in tubular chlorosomes, Phys. Rev. E 93, 022414 (2016). (pdf)

Alejandro Somoza, Lipeng Chen, Kewei Sun, and Yang Zhao, Probing ultrafast excitation energy transfer of the chlorosome with exciton-phonon variational dynamics, Phys. Chem. Chem. Phys. 18, 20298 (2016). (pdf)

Dazhi Xu, Chen Wang, Yang Zhao, and Jianshu Cao Polaron effects on the performance of light-harvesting systems: a quantum heat engine perspective, New Journal of Physics 18, 023003 (2016). (pdf)

Guankui Long, Xuan Yang, Wangqiao Chen, Mingtao Zhang, Yang Zhao, Yongsheng Chen, and Qichun Zhang, ''Doping'' pentacene with sp2-phosphorus atoms: towards high performance ambipolar semiconductors, Phys. Chem. Chem. Phys. 18, 3173 (2016). (pdf)

Lu Wang, Lipeng Chen, Nengji Zhou, and Yang Zhao, Variational dynamics of the sub-Ohmic spin-boson model on the basis of multiple Davydov D_1 states, J. Chem. Phys. 144, 024101 (2016). (pdf)

Prathamesh Shenai, Sebastian Fernandez-Alberti, William Bricker, Sergei Tretiak, and Yang Zhao, Internal Conversion and Vibrational Energy Redistribution in Chlorophyll A, Journal of Physical Chemistry B 120, 49 (2016). (pdf)

Long Zhang, Langhui Wan, Yunjin Yu, Bin Wang, Fuming Xu, Yadong Wei, and Yang Zhao, Modulation of Electronic Structure of Armchair MoS2 Nanoribbon, 119, 22164 (2015). (pdf)

Guankui Long, Yecheng Zhou, Mengting Jin, Bin Kan, Yang Zhao, Angus Gray-Weale, De-en Jiang, Yongsheng Chen, Qichun Zhang, Theoretical investigation on Non-traditional carbon materials employing three-membered ring and four-membered ring as building blocks, Carbon 95, 1033(2015). (pdf)

Chengyuan Wang, Takuya Okabe, Guankui Long, Daiki Kuzuhara, Yang Zhao, Naoki Aratani, Hiroko Yamada, Qichun Zhang, A novel D-Pi-A small molecule with N-heteroacene as acceptor moiety for photovoltaic application, Dyes and Pigments 122 , 231 (2015). (pdf)

Yao Yao, Nengji Zhou, Javier Prior, and Yang Zhao, Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells, Scientific Reports 5, 14555 (2015). (pdf)

Lipeng Chen, Prathamesh Shenai, Fulu Zheng, Alejandro Somoza, and Yang Zhao, Optimal Energy transfer in Light-Harvesting Systems, Molecules 20, 15224 (2015). (pdf)

William Bricker, Prathamesh Shenai, Avishek Ghosh, Zhengtang Liu, Miriam Enriquez, Petar Lambrev, Howe-Siang Tan, Cynthia Lo, Sergei Tretiak, Sebastian Fernandez-Alberti, and Yang Zhao, Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study, to appear in Scientific Reports 5, 13625 (2015). (pdf)

Junbo Li, Jianwei Miao, Guangkui Long, Yongxin Li, Ganguly Rakesh, Yang Zhao, Yi Liu, Bin Liu, Qichun Zhang, N-heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors, Journal of Materials Chemistry C 3, 9877(2015). (pdf)

Lipeng Chen, Yang Zhao, and Yoshitaka Tanimura, Dynamics of a One-Dimensional Holstein Polaron with the Hierachical Equations of Motion Approach, J. Phys. Chem. Lett. 6, 3110 (2015). (pdf)

Jia Li, Lizhong Sun, Prathamesh Shenai, Junling Wang, Hang Zheng, and Yang Zhao, A first-principles study of oxygen vacancy induced changes in structural, electronic and magnetic properties of La_{2/3}Sr_{1/3}MnO_3 , Journal of Alloys and Compounds 649, 973 (2015). (pdf)

Nengji Zhou, Zhongkai Huang, Jiangfeng Zhu, Vladimir Chernyak, and Yang Zhao, Polaron dynamics with a multitude of Davydov D_2 trial states, J. Chem. Phys. 143, 014113 (2015). (pdf)

Hang Zheng, Zhiguo Lv, and Yang Zhao, Ansatz for the quantum phase transition in a dissipative two-qubit system, Physical Review E 91 , 062115 (2015). (pdf)

Kewei Sun, Maxim Gelin, Vladimir Chernyak, and Yang Zhao, Davydov ansatz as an efficient tool for the simulation of nonlinear optical response of molecular aggregates, Journal of Chemical Physics 142, 212448 (2015). (pdf)

Nengji Zhou, Lipeng Chen, Dazhi Xu, Vladimir Chernyak, and Yang Zhao, Symmetry and the critical phase of the two-bath spin-boson model: Ground-state properties, Phys. Rev. B 91, 195129 (2015). (pdf)

Lipeng Chen, Maxim Gelin, Wolfgang Domcke, and Yang Zhao, Theory of femtosecond coherent double-pump single-molecule spectroscopy: application to light harvesting complexes, J. Chem. Phys. 142 , 164106 (2015). (pdf)

Jing Liu, Kewei Sun, Xiaoguang Wang, and Yang Zhao, Quantifying non-Markovianity for a chromophore-qubit pair in a super-Ohmic bath, Phys. Chem. Chem. Phys. 17, 8087 (2015). (pdf)

Jing Lu, Yao Yao, Prathamesh Shenai, Lipeng Chen, and Yang Zhao, Elucidating the Enhancement in Optical Properties of Low Band Gap Polymers by Tuning the Structure of Alkyl Side Chains, Phys. Chem. Chem. Phys. 17, 9541 (2015). (pdf)

Chengyuan Wang, Jing Zhang, Guankui Long, Naoki Aratani, Hiroko Yamada, Yang Zhao, and Qichun Zhang, Synthesis, Structure and Air-stable N-type Field-Effect Transistor Behaviors of Functionalized Octaazanonacene-8,19-dione, Angewandte Chemie 54, 6292 (2015). (pdf)

Junbo Li, Yongbiao Zhao, Jing Lu, Gang Li, Jingping Zhang, Yang Zhao, Xiaowei Sun, Qichun Zhang, Double [4 +2] Cycloaddition Reaction to Approach A Large Acene with Even-Number Linearly-Fused Benzene Rings: 6, 9, 16, 19-Tetraphenyl-1.20, 4.5, 10.11, 14.15-Tetrabenzo-Octatwistacene, Journal of Organic Chemistry 80, 109 (2015). (pdf)

Victor Teslenko, Oleksiy L Kapitanchuk, Yang Zhao, Controlling cooperativity of an open, metastable system coupled weakly to a noisy environment, Chinese Physics B 24, 028702 (2015). (pdf)

Yang Zhao, Fulu Zheng, Jing Liu, and Yao Yao, Dynamics of bipartite and tripartite entanglement in a dissipative system of continuous variables, Physica A 423, 80 (2015). (pdf)

J.K. Gao, J.W. Miao, R. Ganguly, Y. Zhao, O. Lev, B. Liu, Q.C. Zhang, Dye-sensitized polyoxometalate for visible-light-driven photoelectrochemical cells, Dalton Transactions 44, 14354 (2015).

Nengji Zhou, Lipeng Chen, Yang Zhao, Dima Mozyrsky, Vladimir Chernyak, and Yang Zhao, Ground state properties of sub-Ohmic spin-boson model with simultaneous diagonal and off-diagonal coupling, Physical Review B 90,155135 (2014). (pdf)

Shu He, Yang Zhao, and Qinghu Chen, Absence of collapse in quantum Rabi oscillations, Physical Review A 90, 053848 (2014). (pdf)

Cheng Chao Li, Wenyu Zhang, Huixiang Ang, Hong Yu, Bao Yu Xia, Xin Wang, Yan Hui Yang, Yang Zhao, Huey Hoon Hng, Qingyu Yan, Compressed hydrogen gas-induced synthesis of Au-Pt core-shell nanoparticle chains towards highperformance catalysts for Li-O2 batteries, Journal of Materials Chemistry A 2, 10676 (2014). (pdf)

Kewei Sun, Jun Ye, and Yang Zhao, Path induced coherent energy transfer in light-harvesting complexes in purple bacteria, Journal of Chemical Physics 141, 124103 (2014). (pdf)

Shijie Xiong, Lipeng Chen, and Yang Zhao, Dephasing and dissipation in a source-drain model of light harvesting systems, ChemPhysChem 13, 2859 (2014) (DOI: 10.1002/cphc.201402013). (pdf)

Hui Wang, Shu He, Liwei Duan, Yang Zhao, and Qinghu Chen, Solutions to the quantum Rabi model with two equivalent qubits, Europhysics Letters 106 , 54001 (2014). (pdf)

Yang Zhao, Yao Yao, Vladimir Chernyak, and Yang Zhao, Spin-Boson Model with Diagonal and Off-Diagonal Coupling to Two Independent Baths: Ground-State Phase Transition in the Deep Sub-Ohmic Regime, Journal of Chemical Physics Communications 140, 161105 (2014). (pdf)

Kewei Sun and Yang Zhao, Dissipative Dynamics of Two-Level Systems in Low Temperature Glasses, Journal of Physical Chemistry A 118, 2220 (2014). (pdf)

Yao Yao, Wenchao Yang, and Yang Zhao, Exciton dissociation in the presence of phonons: A reduced hierarchy equations of motion approach, Journal of Chemical Physics 140, 104113 (2014). (pdf)

Prathamesh Shenai, Vladimir Chernyak, and Yang Zhao, Disorder Influenced Absorption Line Shapes of a Chromophore Coupled to Two-Level Systems, Journal of Physical Chemistry A 117, 12320 (2013). (pdf)

Chunzhang Zhu and Yang Zhao, High-speed nano-bearings constructed from double-walled carbon nanotubes: effect of flexible deformation, Journal of Applied Physics 114, 174501 (2013). (pdf)

Zhiguo Lu, Liwei Duan, Xin Li, Prathamesh Shenai, and Yang Zhao, Sub-Ohmic spin-boson model with off-diagonal coupling: Ground state properties, Journal of Chemical Physics 139 164103, (2013). (pdf)

Thanh Duc Huynh, Kewei Sun, Maxim Gelin, and Yang Zhao, Polaron dynamics in two-dimensional photon-echo spectroscopy of molecular rings, Journal of Chemical Physics 139, 104103 (2013). (pdf)

Yao Yao, Liwei Duan, Zhiguo Lu, Chang-Qin Wu, and Yang Zhao, Dynamics of the sub-Ohmic spin-boson model: A comparison of three numerical approaches, Physical Review E 88, 023303 (2013). (pdf)

Ning Wu and Yang Zhao, Dynamics of a two-level system under the simultaneous influence of a spin bath and a boson bath, Journal of Chemical Physics 139, 054118 (2013). (pdf)

Prathamesh Shenai, Wujun Shi, Vladimir Chernyak, and Yang Zhao, Disorder and spectral line shapes in two-level systems , Chemical Physics Letters 582, 66 (2013). (pdf)

Liwei Duan, Hui Wang, Qinghu Chen, and Yang Zhao, Entanglement dynamics of two qubits coupled individually to Ohmic baths, Journal of Chemical Physics 139, 044115 (2013). (pdf)

Yao Yao and Yang Zhao, A variational surface hopping algorithm for the sub-Ohmic spin-boson model, Journal of Chemical Physics 139, 014102 (2013).

Junkuo Gao, Shaowen Cao, Qiuling Tay, Yi Liu, Lingmin Yu, Kaiqi Ye, Peter Choon Sze Mun, Yongxin Li, Ganguly Rakesh, Say Chye Joachim Loo, Zhong Chen, Yang Zhao, Can Xue, and Qichun Zhang, Molecule-Based Water-Oxidation Catalysts (WOCs): Cluster-Size- Dependent Dye-Sensitized Polyoxometalates for Visible-Light-Driven O2 Evolution, Scientific Reports 3, 1853 (2013).

Jin Sun, Liwei Duan, and Yang Zhao, Delocalized Davydov D1 Ansatz for the Holstein Polaron, Journal of Chemical Physics 138, 174116 (2013).

Gang Li, Yuechao Wu, Junkuo Gao, Junbo Li, Yang Zhao, and Qichun Zhang, Synthesis, Physical Properties, and Anion Recognition of Two Novel Larger Azaacenes: Benzannelated Hexazaheptacene and Benzannelated N,N' - Dihydrohexazaheptacene, published online by Chemistry: An Asian Journal 8, 1574-1578 (2013) (DOI: 10.1002/asia.201300208).

Wujun Shi, James Barber, and Yang Zhao, Role of Formation of Statistical Aggregates in Chlorophyll Fluorescence Concentration Quenching, Journal of Physical Chemistry B 117, 3976 (2013) (DOI: 10.1021/jp311821t).

Junkuo Gao, Wujun Shi, Jun Ye, Xiaoqing Wang, Hajime Hirao, and Yang Zhao, QM/MM Modeling of Environmental Effects on Electronic Transitions of the FMO Complex, Journal of Physical Chemistry B 117, 3488 (2013) (DOI: 10.1021/jp3109418).

Yuyu Zhang, Qinghu Chen, and Yang Zhao, Generalized rotating-wave approximation to biased qubit-oscillator systems, Physical Review A 87, 033827(2013).

Chengbo Guan, Ning Wu, and Yang Zhao, Optimization of Exciton Currents in Photosynthetic Systems, Journal of Chemical Physics 138, 115102 (2013).

Ning Wu, Liwei Duan, Xin Li, and Yang Zhao, Dynamics of the sub-Ohmic spin-boson model: a time-dependent variational study, Journal of Chemical Physics 138, 084111 (2013).

Hui Jiang, Keke Zhang, Jun Ye, Fengxia Wei, Peng Hu, Jun Guo, Chunyong Liang, Tim White, Xiaodong Chen, Yang Zhao, L.E. McNeil, Wenping Hu, and Christian Kloc, Atomically-Flat, Large-Sized, Two-Dimensional Organic Nanocrystals, Small 9, 990 (2013).

Gang Li, Yuechao Wu, Junkuo Gao, Chengyuan Wang, Junbo Li, H. Zhang, Yang Zhao, Yanli Zhao, and Qichun Zhang, Synthesis and Physical Properties of Four Hexazapentacene Derivatives, Journal of the American Chemical Society 134 , 20298 (2012).

Shijie Xiong, Ye Xiong, and Yang Zhao, Enhancement of coherent transport of energies by disorder and temperature in light harvesting processes, Journal of Chemical Physics 137, 094107 (2012).

Yang Zhao, Bin Luo, Yuyu Zhang, and Jun Ye, Dynamics of a Holstein polaron with off-diagonal coupling, Journal of Chemical Physics 137 , 084113 (2012).

Gang Li, Abiyasa Agus Putu, Junkuo Gao, Yoga Divayana, Wangqiao Chen, Yang Zhao, Xiao Wei Sun, and Qichun Zhang, Synthesis, physical properties and OLED performance of 2,7,11,16-tetra-tert-butyldiphenanthro [4,5-abc:4’,5’-hij] phenazine (BDPP),Asian Journal of Organic Chemistry 1, 346 (2012).

J.K. Gao, X.F. Liu, Y. Liu, L.L. Yu, Y.H. Feng, H.Y. Chen, Y.X. Li, G. Rakesh, C.H.A. Huan, T.C. Sum, Y. Zhao, Q.C. Zhang, Experimental and Theoretical Studies on Pyrene-grafted Polyoxometalate Hybrid , Dalton Transactions 41, 12185 (2012).

Yuyu Zhang, Liwei Duan, Qinghu Chen, and Yang Zhao, Polaronic discontinuities induced by off-diagonal coupling , Journal of Chemical Physics 137, 034108 (2012).

Jun Ye, Kewei Sun, Yang Zhao, Yunjin Yu, Chee Kong Lee, and Jianshu Cao, Excitonic energy transfer in light-harvesting complexes in purple bacteria, Journal of Chemical Physics 136, 245104 (2012).

Yuan Peng, Zhen Zhang, Thien Viet Pham, Yang Zhao, Ping Wu, and Junling Wang, Understanding the intrinsic and extrinc dopants in cupric oxide: a density functional theory analysis, Journal of Applied Physics 111, 103708 (2012).

Ning Wu, Kewei Sun, Zhe Chang, and Yang Zhao, Resonant Enegry Transfer Assisted by Off-Diagonal Coupling, Journal of Chemical Physics 136, 124513 (2012).

Jeremy Moix, Yang Zhao, and Jianshu Cao, Equilibrium-Reduced Density Matirx Formulation: Influence of Noise, Disorder, and Temperature on Localization in Excitonic Systems, Physical Review B 85, 115412 (2012).

Guangcan Yang, Ning Wu, Tuo Chen, Kewei Sun, and Yang Zhao, Theoretical Examination of Long-range Energy Propagation in Nano-Engineered Light Harvesting Antenna Arrays, Journal of Physical Chemistry C 116, 3747 (2012) (DOI: 10.1021/jp209293k).

Prathamesh M Shenai, Zhiping Xu, and Yang Zhao, Applications of Principal Components Analysis in Materials Science, in Principal Components Analysis (InTech Open Access Publisher, 2012) [Book Chapter] .

Jun Ye, Dongmeng Chen, and Yang Zhao, Off-diagonal carrier-phonon coupling and polaron transport , IOP conference proceedings on "Advanced many-body and statistical methods in mesoscopic systems" (2012).

Chunzhang Zhu, Prathamesh M Shenai, and Yang Zhao, Investigation of effects of commensurability on friction between concentric carbon nanotubes, Nanotechnology 23, 015702(2011) (DOI: 10.1088/0957-4484/23/1/015702).

Bo Yang and Yang Zhao, Coercivity Control in Finite Arrays of Magnetic Particles, Journal of Applied Physics 110 , 103908 (2011) (DOI: 10.1063/1.3662950).

Prathamesh M Shenai, Zhiping Xu, and Yang Zhao, Thermal gradient induced interaction energy ramp and actuation of relative axial motion in short-sleeved double walled carbon nanotubes, Nanotechnology 22 , 485702 (2011) (DOI: 10.1088/0957-4484/22/48/485702).

Xiaomei Zeng, Xiaofeng Xu, Prathamesh M Shenai, Eugene Kovalev, Charles Baudot, Nripan Mathews, and Yang Zhao, Characteristics of the Electrical Percolation in Carbon Nanotubes/polymer Nanocomposites, Journal of Physical Chemistry C 115, 21685 (2011) (DOI: 10.1021/jp207388n).

Junling Song, Zongyou Yin, Zijiang Yang, P Amaladass, Shixin Wu, Jun Ye, Yang Zhao, Wei-Qiao Deng, Hua Zhang, and Xue-Wei Liu, Enhancement of Photogenerated-Electron Transport in Dye-Sensitized Solar Cells with Introduction of Reduced Graphene Oxide-TiO2 Junction , Chemistry - A European Journal 17 , 10832 (2011) (DOI: 10.1002 /chem.2011012263).

Liap Tat Su, Jun Ye, Siva K Karuturi, Lijun Liu, Yang Zhao, Jun Guo, and Alfred I Y Tok, High index, reactive facets controlled synthesis of one-dimensional single crystalline rare earth hydroxide nanobelts , CrystEngComm 13, 5367 (2011) (DOI: 10.1039/c1ce05357d).

Ni Xiao, Xiaochen Dong, Dayong Liu, YeeYan Tay, Shixin Wu, Lain-Jong Li, Yang Zhao, Ting Yu, Hua Zhang, Wei Huang, Huey Hoon Hng, Pulickel Ajayan, and Qingyu Yan, Enhanced Thermopower of Graphene Films with Oxygen Plasma Treatment, ACS Nano 5 , 2749 (2011) (DOI: 10.1021/nn102734s).

Dongmeng Chen, Jun Ye, Haijun Zhang, and Yang Zhao, On The Munn-Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations, Journal of Physical Chemistry B: 115, 5312 (2011) (Special Issue: Shaul Mukamel Festschrift, DOI: 10.1021/jp1093492).

Daohao Sim, Dayong Liu, Xiaochen Dong, Ni Xiao, Sean Li, Yang Zhao, Lain-Jong Li, Qingyu Yan, and Huey Hoon Hng, Power Factor Enhancement for Few-Layered Graphene Films by Molecular Attachments, Journal of Physical Chemistry C 115, 1780 (2011) (DOI: 10.1021/jp1103609).

Zhongcheng Mu, Qi Shao, Jun Ye, Zebing Zeng, Yang Zhao, Huey Hoon Hng, Freddy Boey, Jishan Wu, and Xiaodong Chen, Effect of Intermolecular Dipole-Dipole Interactions on Interfacial Supramolecular Structures of C3-Symmetric Hexa-peri-hexabenzocoronene Derivatives, Langmuir 27, 1314 (2011) (DOI: 10.1021/la103921e).

Dongmeng Chen, Prathamesh M Shenai, and Yang Zhao, Tight binding description on band gap opening of pyrene-dispersed graphene, Physical Chemistry Chemical Physics 13 , 1515 (2011) (DOI: 10.1039/C0CP00909A).

Bin Luo, Jun Ye, and Yang Zhao, Variational study of polaron dynamics with the Davydov Ansatze, Physica Status Solidi C 8 , 70 (2011) (DOI: 10.1002/pssc.201000721).

Prathamesh M Shenai, Jun Ye, and Yang Zhao, Sustained smooth dynamics in short sleeved nanobearings based on double walled carbon nanotubes, Nanotechnology 21, 495303 (2010).

Rui Chen, Yee Yan Tay, Jun Ye, Yang Zhao, Guo Zhong Xing, Tom Wu, and Handong Sun, Investigation of Structured Green Band Emission and Electron-Phonon Interactions in Vertically Aligned ZnO Nanowires, Journal of Physical Chemistry C 114, 17889 (2010) (DOI: 10.1021/jp1064209).

Siva Karuturi, Lijun Liu, Liap Tat Su, Yang Zhao, Hongjin Fan, Xiaochen Ge, Sailing He, and Alfred Tok, Kinetics of Stop Flow Atomic Layer Deposition for High Aspect Ratio Template Filling through Photonic Bandgap Measurements, Journal of Physical Chemistry C 114 , 14843 (2010) (DOI: 10.1021/jp1053748).

Bin Luo, Jun Ye, Chengbo Guan, and Yang Zhao, Validity of time-dependent trial states for the Holstein polaron, Physical Chemistry Chemical Physics 12, 15073 (2010) (DOI: 10.1039/C0CP00663G).

Jin Sun, Bin Luo, and Yang Zhao, Dynamics of a one-dimensional Holstein polaron with the Davydov Ansatze, Physical Review B 82, 014305 (2010) (DOI: 10.1103/PhysRevB.82.014305).

Qingmei Liu, Xi Dai, Zhong Fang, Jia-Ning Zhuang, and Yang Zhao, Bose-Fermi Mixtures in a Three-Dimensional Optical Lattice, Applied Physics B 99, 639 (2010) (DOI: 10.1007/s00340-010-4074-y).

Prathamesh M Shenai and Yang Zhao, Schematic construction of flanged nanobearings from double-walled carbon nanotubes, Nanoscale 2, 1500 (2010) (DOI: 10.1039/C0NR00036A).

Qingmei Liu, Jun Ye, and Yang Zhao, Multimode Vibronic Spectra of the Holstein Molecular Crystal Model, Physical Chemistry Chemical Physics 12, 6045 (2010) (DOI: 10.1039/B925286J).

Jun Ye, Andrew C Grimsdale, and Yang Zhao, Analyzing the Optical Properties of a Conjugated Polymer by the Multi-Mode Brownian Oscillator Model, Journal of Physical Chemistry A 114, 504 (2010) (DOI: 10.1021/jp9073043).

Yee Yan Tay, T.T. Tan, Freddy Boey, Meng Heng Liang, Jun Ye, Yang Zhao, and Sean Li, Correlation between the Characteristic Green Emissions and Specific Defects of ZnO, Physical Chemistry Chemical Physics 12, 2373 (2010) (DOI: 10.1039/b922372j).

X.C. Dong, Y.M. Shi, Yang Zhao, D.M. Chen, J. Ye, Y.G. Yao, F. Gao, Z.H. Ni, Y. Ting, Zexiang Shen, Peng Chen, and Lance Li, Symmtry Breaking of Graphene Monolayers by Molecular Decoration, Physical Review Letters 102, 135501 (2009).

Qingmei Liu, Yang Zhao, Weihua Wang, and Tsuyoshi Kato, Global-Local Ansatz and Dynamical Coherent Potential Approximation Study of Off-Diagonal Exciton-Phonon Coupling, Physical Review B 79, 165105 (2009).

Jin Sun, Yang Zhao, and Wanzhen Liang, Self-Trapping of Polarons with Off-Diagonal Coupling, Physical Review B 79, 155112 (2009).

Fang Gao, Wanzhen Liang, and Yang Zhao, Vibrationally-resolved absorption and emission spectra of rubrene multichromophores: temperature and aggregation effects, Journal of Physical Chemistry A 113, 12847 (2009).

Yingran He, Hock Guan Ong, Yang Zhao, Sailing He, Lance Li, and Junling Wang, Charge Diffusion at CNT/Dielectric Interface in Carbon Nanotube Field Effect Transistors, Journal of Physical Chemistry C 113, 15476 (2009).

Fuming Chen, Jun Ye, Ming Yong, Yang Zhao, Lay Poh Tan, Yuan Chen, Mary Chan-Park, and Lain-Jong Li, Species-Dependent Energy Transfer of Surfactant-Dispersed Semiconducting Single-Walled Carbon Nanotubes, Journal of Physical Chemistry C 113, 20061 (2009).

Liap-Tat Su, Alfred Tok, Yang Zhao, Nathaniel Ng, Freddy Boey, Controlled Synthesis and Electron-Phonon Interations of Ce3+ doped Yttrium Aluminium Garnet nanoparticles, Journal of Physical Chemistry C 113, 5974 (2009).

Jack Yang, Sean Li, Yang Zhao, and Xuean Zhao, Size dependence and spatial variation of electronic properties in nonpolar ZnO nanobelts, Journal of Physical Chemistry C 113, 4804 (2009).

Jun Ye, Yang Zhao, Nathaniel Ng, and Jianshu Cao, Width of Phonon Sidebands in the Brownian Oscillator Model, Journal of Physical Chemistry B 113, 5897 (2009).

Yang Zhao, Guangqi Li, Jin Sun, and Weihua Wang, An Improved Variational Approach to Off-Diagonal Exciton-Phonon Coupling, Journal of Chemical Physics 129, 124114 (2008).

Liap-Tat Su, Alfred Tok, Yang Zhao, Nathaniel Ng, Freddy Boey, J.L. Woodhead, C.J. Summers, Electron-phonon interactions in Ce3+ doped Yttrium Aluminium Garnet nanophosphors, Journal of Physical Chemistry B 112, 10830 (2008).

Zhiping Xu, Quanshui Zheng, Qing Jiang, Chi-Chiu Ma, Yang Zhao, Guanhua Chen, H. Gao and G.X. Ren, Trans-phonon effects in ultra-fast nanodevices, Nanotechnology 19, 255705 (2008).

Yang Zhao, Chi-Chiu Ma, Guanhua Chen, and Qing Jiang, Energy Dissipation Mechanisms in Carbon Nanotube Oscillators, Physical Review Letters 91, 175504 (2003). [Cited 104 times by May, 2010]

Lihong Hu, Yang Zhao, Fan Wang, Guanhua Chen, Chensheng Ma, Wai-Ming Kwok, and David L. Phillips, Are Adenine Strands Helical H-aggregates?, J. Physical Chemistry B 111, 11812 (2007).

J.Z. Zheng, X. Zheng, Yang Zhao, Y. Xie, C.Y. Yam, G.H. Chen, Q. Jiang, and A.T. Chwang, Maxwell’s Demon and Smoluchowski’s Trap Door, Physical Review E 75, 041109 (2007).

Yang Zhao, Chi-Chiu Ma, Lai-Ho Wang, Guanhua Chen, Zhiping Xu, Quanshui Zheng, Qing Jiang, and Allen T. Chwang, Quasi-reversible Energy Flows in Carbon-Nanotube-Based Oscillators, Journal of Computational and Theoretical Nanoscience 3, 852 (2006).

Haibin Su, William A. Goddard III, and Yang Zhao, Dynamic Friction Force in a Carbon Peapod Oscillator, Nanotechnology 17, 2591 (2006).

Yang Zhao, Chi-Chiu Ma, Lai-Ho Wang, Guanhua Chen, Zhiping Xu, Quanshui Zheng, Qing Jiang, and Allen T. Chwang, Energy Exchanges in Carbon Nanotube Oscillators, Nanotechnology 17, 1032 (2006).

Lai-Ho Wong, Yang Zhao, Guanhua Chen, and Allen T. Chwang, Grooving Carbon Nanotube Oscillators, Applied Physics Letters 88, 183107 (2006).

S.J. Xu, G.Q. Li, Y.J. Wang, Yang Zhao, G.H. Chen, D.G. Zhao, H. Yang, and D.P. Yu, Quantum dissipation and broadening mechanisms due to electron-phonon interactions in Si-doped self-formed InGaN quantum dots, Applied Physics Letters 88, 083123 (2006).

S.L. Shi, G.Q. Li, S.J. Xu, Yang Zhao, and G.H. Chen, Physical Nature of the Green Luminescence Band in ZnO: Fine Structures and Electron-Phonon Coupling, J. Phys. Chem. B 110, 10475 (2006).

Chi-Chiu Ma, Yang Zhao, Chi-Yung Yam, GuanHua Chen, and Qing Jiang, A tribological study of double-walled and triple-walled carbon nanotube oscillators, Nanotechnology 16, 1253 (2005).

Yang Zhao, XiuJun Wang, Chi-Chiu Ma, and GuanHua Chen, Theoretical Investigations of Optical Properties of Single-Walled Carbon Nanotubes, in Handbook of Theoretical and Computational Nanotechnology (American Scientific Publishers, 2005). [Book Chapter]

Yang Zhao, Paolo Zanardi, and Guanhua Chen, Quantum Entanglement and the Self-Trapping Transition in Polaronic Systems, Phys. Rev. B 70, 195113 (2004). (pdf)

Yang Zhao, Man-Fai Ng, and GuanHua Chen, Low-lying excited states of a B850 ring in purple bacteria, Phys. Rev. E 69, 032902 (2004).

Yang Zhao, XiuJun Wang, Chi-Chiu Ma, and GuanHua Chen, Absorption Spectra of Single-Walled Carbon Nanotubes, Chem. Phys. Lett. 387, 149 (2004).

Man-Fai Ng, Yang Zhao, and GuanHua Chen, Low Energy Excited States of Light-Harvesting System 2 in Purple Bacteria, J. Phys. Chem. B 107, 9589 (2003).

Yang Zhao and GuanHua Chen, Two Oscillators in a Disspative Bath, Physica A 317, 13 (2003).

Yang Zhao and GuanHua Chen, Density Matrix Negativity of Two Oscillators in an Agarwal Bath, Phys. Rev. E 65, 056120 (2002).

Yang Zhao and GuanHua Chen, Quantum Dissipative Master Equations: Some Exact Results, J. Chem. Phys. 114,10623 (2001).

Yang Zhao and Robert S. Knox, A Brownian Oscillator Approach to the Kennard-Stepanov Relation, J. Phys. Chem. A 104, 7751 (2000).

Yang Zhao, GuanHua Chen, and Lu Yu, Lattice and Spin Polarons in Two Dimensions, J. Chem. Phys. 113, 6502 (2000).

Yang Zhao, Satoshi Yokojima, and GuanHua Chen, Reduced Density Matrix and Combined Dynamics of Electrons and Nuclei, J. Chem. Phys. 113, 4016 (2000).

Yang Zhao, Torsten Meier, Weimin Zhang, Vladimir Chernyak, and Shaul Mukamel, Superradiance Coherence Sizes in Single Molecule Spectroscopy of LH2 Antenna Complexes, J. Phys. Chem. B 103, 3954 (1999).

Yang Zhao, Vladimir Chernyak, and Shaul Mukamel, Spin versus Boson Baths in Nonlinear Spectroscopy, J. Phys. Chem. A 102, 6614 (1998).

Torsten Meier, Yang Zhao, Vladimir Chernyak, and Shaul Mukamel, Polarons, Localization, and Excitonic Coherence in Superradiance of BiologicalAntenna Complexes, J. Chem. Phys. 107, 3876 (1997).

Yang Zhao, David W. Brown, and Katja Lindenberg, Variational Energy Band Theory for Polarons: Mapping Polaron Structure with the Toyozawa Method, J. Chem. Phys. 107, 3159 (1997).

Yang Zhao, David W. Brown, and Katja Lindenberg, Variational Energy Band Theory for Polarons: Mapping Polaron Structure with the Global-Local Method, J. Chem. Phys. 107, 3179 (1997).

Yang Zhao, David W. Brown, and Katja Lindenberg, Variational Energy Band Theory for Polarons: Mapping Polaron Structure with the Merrifield Method, J. Chem. Phys. 106, 5622 (1997).

Yang Zhao, David W. Brown, and Katja Lindenberg, A Variational Approach to Nonlocal Exciton-Phonon Coupling, J. Chem. Phys. 106, 2728 (1997).

Katja Lindenberg, Yang Zhao, and David W. Brown, A Variational Approach to Exciton-Phonon Coupling, in Fourth Granada Seminar on Computational Physics, edited by P. Garrido et al. (Springer, Berlin, 1997), p. 3-53. [Book Chapter]

Yang Zhao and H. Neal Bertram, Micromagnetic Modeling of Magnetic Anisotropy in Textured Thin Film Media, J. Appl. Phys. 77, 6411 (1995).

Yang Zhao, David W. Brown, and Katja Lindenberg, On the Munn-Silbey Approach to Nonlocal Exciton-phonon Coupling, J. Chem. Phys. 100, 2335 (1994).

Yang Zhao, David Brown, and Katja Lindenberg, Self-consistent Polaron States in the Presence of Simultaneous Local and Nonlocal Exciton-phonon Coupling, J. Lumin. 60-61, 762 (1994). (pdf)

Yang Zhao and David Brown, Robustness of the Single Dressing fraction Characterization of Polaron structure in multi-mode partial dressing theory, J. Lumin. 58, 61 (1994). (pdf)

Gang H. Lin, Yang Zhao, and H. Neal Bertram, Overwrite in Thin Film Disk Recording Systems, IEEE Trans. Mag. 29, 4215 (1993).