| Year |
Citation |
Score |
| 2025 |
Liu Z, Sun X. Direct All-Atom Nonadiabatic Semiclassical Simulations for Electronic Absorption Spectroscopy of Organic Photovoltaic Non-Fullerene Acceptor in Solution. The Journal of Physical Chemistry Letters. 4463-4473. PMID 40279488 DOI: 10.1021/acs.jpclett.5c00714 |
0.372 |
|
| 2024 |
Sun X, Liu Z. Reduced density matrix dynamics in multistate harmonic models via time-convolution and time-convolutionless quantum master equations with quantum-mechanical and semiclassical kernels. The Journal of Chemical Physics. 161. PMID 39526737 DOI: 10.1063/5.0231561 |
0.828 |
|
| 2024 |
Liu Z, Brian D, Sun X. PyCTRAMER: A Python package for charge transfer rate constant of condensed-phase systems from Marcus theory to Fermi's golden rule. The Journal of Chemical Physics. 161. PMID 39120028 DOI: 10.1063/5.0224524 |
0.79 |
|
| 2024 |
Liu Z, Lyu N, Hu Z, Zeng H, Batista VS, Sun X. Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics. The Journal of Chemical Physics. 161. PMID 38980091 DOI: 10.1063/5.0208708 |
0.803 |
|
| 2024 |
Sun X, Liu Z. Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems. The Journal of Chemical Physics. 160. PMID 38748010 DOI: 10.1063/5.0203080 |
0.825 |
|
| 2024 |
Liu Z, Sun X. Instantaneous Marcus theory for photoinduced charge transfer dynamics in multistate harmonic model systems. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 36. PMID 38657642 DOI: 10.1088/1361-648X/ad42f2 |
0.838 |
|
| 2024 |
Liu Z, Song Z, Sun X. All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Multistate Nonlinear-Response Instantaneous Marcus Theory. Journal of Chemical Theory and Computation. PMID 38657208 DOI: 10.1021/acs.jctc.4c00010 |
0.826 |
|
| 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 |
0.827 |
|
| 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 |
0.816 |
|
| 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 |
0.801 |
|
| 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 |
0.812 |
|
| 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 |
0.425 |
|
| 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 |
0.577 |
|
| 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 |
0.788 |
|
| 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 |
0.823 |
|
| 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 |
0.788 |
|
| 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 |
0.613 |
|
| 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 |
0.802 |
|
| 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 |
0.613 |
|
| 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 |
0.629 |
|
| 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 |
0.59 |
|
| 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 |
0.698 |
|
| 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 |
0.401 |
|
| 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 |
0.332 |
|
| 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 |
0.566 |
|
| 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 |
0.415 |
|
| 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 |
0.33 |
|
| 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 |
0.787 |
|
| 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 |
0.765 |
|
| 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 |
0.322 |
|
| 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 |
0.818 |
|
| 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 |
0.647 |
|
| 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 |
0.334 |
|
| 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 |
0.654 |
|
| 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 |
0.57 |
|
| 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 |
0.629 |
|
| 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 |
0.615 |
|
| 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 |
0.339 |
|
| 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 |
0.735 |
|
| 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 |
0.64 |
|
| 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 |
0.621 |
|
| 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 |
0.343 |
|
| Show low-probability matches. |