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Xiang Sun, Ph.D. - Publications

Affiliations: 
2018- Department of Chemistry New York University Shanghai 
Area:
Statistical Mechanics, Quantum Dynamics, Spectroscopy
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35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Sun X, Zhang X, Liu Z. Generalized nonequilibrium Fermi's golden rule and its semiclassical approximations for electronic transitions between multiple states. The Journal of Chemical Physics. 160. PMID 38240298 DOI: 10.1063/5.0185076  0.805
2023 Liu Z, Hu H, Sun X. Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase. Journal of Chemical Theory and Computation. 19: 7151-7170. PMID 37815937 DOI: 10.1021/acs.jctc.3c00770  0.796
2022 Hu Z, Liu Z, Sun X. Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna-Matthews-Olson Complex. The Journal of Physical Chemistry. B. 126: 9271-9287. PMID 36327977 DOI: 10.1021/acs.jpcb.2c06605  0.781
2022 Liu Z, Xu W, Tuckerman ME, Sun X. Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transfer. The Journal of Chemical Physics. 157: 114111. PMID 36137799 DOI: 10.1063/5.0098162  0.792
2022 Hu Z, Sun X. All-Atom Nonadiabatic Semiclassical Mapping Dynamics for Photoinduced Charge Transfer of Organic Photovoltaic Molecules in Explicit Solvents. Journal of Chemical Theory and Computation. PMID 36073792 DOI: 10.1021/acs.jctc.2c00631  0.387
2022 Tinnin J, Bhandari S, Zhang P, Geva E, Dunietz BD, Sun X, Cheung MS. Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C Organic Photovoltaic System. The Journal of Physical Chemistry Letters. 763-769. PMID 35040657 DOI: 10.1021/acs.jpclett.1c03618  0.565
2021 Brian D, Sun X. Charge-Transfer Landscape Manifesting the Structure-Rate Relationship in the Condensed Phase Machine Learning. The Journal of Physical Chemistry. B. 125: 13267-13278. PMID 34825563 DOI: 10.1021/acs.jpcb.1c08260  0.768
2021 Hu Z, Brian D, Sun X. Multi-state harmonic models with globally shared bath for nonadiabatic dynamics in the condensed phase. The Journal of Chemical Physics. 155: 124105. PMID 34598571 DOI: 10.1063/5.0064763  0.808
2021 Brian D, Liu Z, Dunietz BD, Geva E, Sun X. Three-state harmonic models for photoinduced charge transfer. The Journal of Chemical Physics. 154: 174105. PMID 34241055 DOI: 10.1063/5.0050289  0.755
2021 Tinnin J, Aksu H, Tong Z, Zhang P, Geva E, Dunietz BD, Sun X, Cheung MS. CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials. The Journal of Chemical Physics. 154: 214108. PMID 34240998 DOI: 10.1063/5.0050574  0.591
2021 Brian D, Sun X. Linear-Response and Nonlinear-Response Formulations of the Instantaneous Marcus Theory for Nonequilibrium Photoinduced Charge Transfer. Journal of Chemical Theory and Computation. PMID 33687212 DOI: 10.1021/acs.jctc.0c01250  0.784
2020 Hu Z, Tong Z, Cheung MS, Dunietz BD, Geva E, Sun X. Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule. The Journal of Physical Chemistry. B. PMID 33059444 DOI: 10.1021/acs.jpcb.0c06306  0.596
2020 Tong Z, Gao X, Cheung MS, Dunietz BD, Geva E, Sun X. Erratum: "Charge transfer rate constants for the carotenoid-porphyrin-C molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation" [J. Chem. Phys. 153, 044105 (2020)]. The Journal of Chemical Physics. 153: 129901. PMID 33003760 DOI: 10.1063/5.0028384  0.628
2020 Han J, Zhang P, Aksu H, Maiti B, Sun X, Geva E, Dunietz BD, Cheung MS. On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates. Journal of Chemical Theory and Computation. PMID 32997944 DOI: 10.1021/acs.jctc.0c00796  0.568
2020 Tong Z, Gao X, Cheung MS, Dunietz BD, Geva E, Sun X. Charge transfer rate constants for the carotenoid-porphyrin-C molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation. The Journal of Chemical Physics. 153: 044105. PMID 32752699 DOI: 10.1063/5.0016160  0.688
2020 Tong Z, Videla PE, Jung KA, Batista VS, Sun X. Two-dimensional Raman spectroscopy of Lennard-Jones liquids via ring-polymer molecular dynamics. The Journal of Chemical Physics. 153: 034117. PMID 32716164 DOI: 10.1063/5.0015436  0.373
2020 Liu H, Jian L, Xu J, Zhang Q, Zhang M, Jin M, Peng Y, Yan J, Han B, Liu J, Gao F, Liu X, Huang L, Wei W, Ding Y, ... ... Sun X, et al. High-Throughput CRISPR/Cas9 Mutagenesis Streamlines Trait Gene Identification in Maize. The Plant Cell. PMID 32102844 DOI: 10.1105/Tpc.19.00934  0.341
2020 Tinnin J, Bhandari S, Zhang P, Aksu H, Maiti B, Geva E, Dunietz BD, Sun X, Cheung MS. Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine/ C60 Organic Photovoltaic System Physical Review Applied. 13. DOI: 10.1103/Physrevapplied.13.054075  0.567
2019 Sun X. Hybrid equilibrium-nonequilibrium molecular dynamics approach for two-dimensional solute-pump/solvent-probe spectroscopy. The Journal of Chemical Physics. 151: 194507. PMID 31757162 DOI: 10.1063/1.5130926  0.396
2019 Wang T, Su X, Zhang X, Nie X, Huang L, Zhang X, Sun X, Luo Y, Zhang G. Aggregation-Induced Dual-Phosphorescence from Organic Molecules for Nondoped Light-Emitting Diodes. Advanced Materials (Deerfield Beach, Fla.). e1904273. PMID 31693248 DOI: 10.1002/Adma.201904273  0.328
2019 Mulvihill E, Schubert A, Sun X, Dunietz BD, Geva E. A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation. The Journal of Chemical Physics. 150: 034101. PMID 30660163 DOI: 10.1063/1.5055756  0.773
2018 Kananenka AA, Sun X, Schubert A, Dunietz BD, Geva E. A comparative study of different methods for calculating electronic transition rates. The Journal of Chemical Physics. 148: 102304. PMID 29544297 DOI: 10.1063/1.4989509  0.758
2018 Sun X, Luo H, Soga K. A coupled thermal–hydraulic–mechanical–chemical (THMC) model for methane hydrate bearing sediments using COMSOL Multiphysics Journal of Zhejiang University-Science A. 19: 600-623. DOI: 10.1631/Jzus.A1700464  0.315
2018 Sun X, Zhang P, Lai Y, Williams KL, Cheung MS, Dunietz BD, Geva E. Computational Study of Charge-Transfer Dynamics in the Carotenoid–Porphyrin–C60Molecular Triad Solvated in Explicit Tetrahydrofuran and Its Spectroscopic Signature The Journal of Physical Chemistry C. 122: 11288-11299. DOI: 10.1021/Acs.Jpcc.8B02697  0.801
2016 Sun X, Geva E. Non-Condon equilibrium Fermi's golden rule electronic transition rate constants via the linearized semiclassical method. The Journal of Chemical Physics. 144: 244105. PMID 27369495 DOI: 10.1063/1.4954509  0.641
2016 Li P, Zhang M, Sun X, Guan S, Zhang G, Baumgarten M, Müllen K. A dendrimer-based highly sensitive and selective fluorescence-quenching sensor for Fe(3+) both in solution and as film. Biosensors & Bioelectronics. 85: 785-791. PMID 27281108 DOI: 10.1016/j.bios.2016.05.046  0.344
2016 Sun X, Geva E. Nonequilibrium Fermi's Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method. Journal of Chemical Theory and Computation. PMID 27128887 DOI: 10.1021/Acs.Jctc.6B00236  0.65
2016 Sun X, Geva E. Exact vs. asymptotic spectral densities in the Garg-Onuchic-Ambegaokar charge transfer model and its effect on Fermi's golden rule rate constants. The Journal of Chemical Physics. 144: 044106. PMID 26827201 DOI: 10.1063/1.4940308  0.572
2016 Sun X, Geva E. Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method The Journal of Chemical Physics. 145: 064109. DOI: 10.1063/1.4960337  0.626
2015 Sun X, Geva E. Equilibrium Fermi's Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory. The Journal of Physical Chemistry. A. PMID 26452042 DOI: 10.1021/Acs.Jpca.5B08280  0.607
2015 Sun X, Guo X, Shao L, Tang H. A thermodynamics-based critical state constitutive model for methane hydrate bearing sediment Journal of Natural Gas Science and Engineering. 27: 1024-1034. DOI: 10.1016/J.Jngse.2015.09.048  0.343
2014 Sun X, Ladanyi BM, Stratt RM. Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/Solvent-Probe Spectra. The Journal of Physical Chemistry. B. PMID 25299940 DOI: 10.1021/Jp509021C  0.728
2013 Sun X, Stratt RM. How a solute-pump∕solvent-probe spectroscopy can reveal structural dynamics: polarizability response spectra as a two-dimensional solvation spectroscopy. The Journal of Chemical Physics. 139: 044506. PMID 23901992 DOI: 10.1063/1.4816373  0.63
2012 Sun X, Stratt RM. The molecular underpinnings of a solute-pump/solvent-probe spectroscopy: the theory of polarizability response spectra and an application to preferential solvation. Physical Chemistry Chemical Physics : Pccp. 14: 6320-31. PMID 22398985 DOI: 10.1039/C2Cp24127G  0.615
2009 Tian SX, Sun X, Cao R, Yang J. Thermal stabilities of the microhydrated zwitterionic glycine: a kinetics and dynamics study. The Journal of Physical Chemistry. A. 113: 480-3. PMID 19086906 DOI: 10.1021/Jp8092594  0.331
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