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庄巍, 男，1976年6月生, 现为中国科学院福建物质结构研究所研究员，课题组长，博士生导师。2000年本科毕业于中国科技大学少年班系。2003年硕士毕业于美国罗切斯特大学。之后至美国加州大学欧文分校攻读博士，师从著名理论化学家Shaul Mukamel教授。其间主持发展了在本领域内有一定影响力的非线性光谱计算软件SPECTRON。2007年赴劳伦斯伯克利国家实验室从事博士后研究。2009年,入选中国科学院大连化学物理研究所“百人计划”，并被聘任为研究员兼大分子体系动力学及超快光谱理论研究组组长。主要从事分子反应动力学和超快光谱的理论研究，取得了国家自然科学基金委青年基金、国家自然科学基金委重点项目、大连化物所创新基金等支持。2010年度荣获中国科学院大连化物所知识创新工程“冠名奖”青年优秀奖，2012年度被评为中国科学院大连化物所优秀博士后合作导师并荣获“大连市侨界青年之星”荣誉称号。2015年当选为全国青联委员（科技界别）。2015年12月进入中国科学院福建物质结构研究所并被聘任为研究员，2016年入选海西院百人计划。
主要的创新性工作包括：生物质溶液体系动力学振动光谱模拟理论框架、离子配对现象对溶液微观动力学的影响及其非线性光谱表征，二维红外光谱学新方法等。 在Nature Communications, Chemical Science, Proc.Nat. Acad. Sci.、Angew. Chem. Int. Ed.等刊物发表文章多篇，其中通讯作者或第一作者学术论文36 篇（近五年来他引394 次），3 篇通讯作者论文被选入J. Phys. Chem.的“Virtual Issue on Ion Pairing”, 是被收录文章最多的作者。与实验合作研究离子团簇效应的Proc.Nat. Acad. Sci.文章被SCIENCE 杂志收入“Editor’s Choice”。在一系列有影响的国际学术会议中做邀请报告。2016 年被Gordon Research Conference(GRC)邀请做专题报告，是GRC 的振动光谱分会62 年唯一邀请的中国大陆科学家。
研究方向
本课题组的主要研究方向是凝聚相动力学理论与模拟，研究延伸到动态光谱理论，理论催化，溶液，生物体系中的构象变化以及能量传递，光电与热电材料中的载流子输运等多个热点领域，包括：
1）结合先进的化学统计力学与动力学理论，完善和丰富凝聚态动力学振动光谱模拟方法，并借助光谱模拟研究溶液、材料等凝聚态体系中各种重要物理机制；
2）均相、多相催化反应的理论模拟，模型方法学的发展与应用；
3）利用动力学网络模型研究生物大分子的构象变化，结合量子力学和分子力学考察环境涨落与复杂生物体系内部能量、电子转移相耦合的分子机制；
4）结合第一性原理计算，输运理论以及量子动力学模拟方法研究光，热电材料内部的载流子输运动力学；进而结合超快泵浦-探测激光光谱技术进行光电材料内部激子动力学研究。
研究成果 1)Qiang Zhang, Hailong Chen, Tianmin Wu, Tan Jin, Zhijun Pan, Junrong Zheng, Yiqin Gao, Wei Zhuang*; The opposite effects of sodium and potassium cations on water dynamics; Chemical Sciences, 2017, 8, 1429~1435 2)Hailong Chen, Xiewen Wen, Jing Zhang, Tianmin Wu, Yongji Gong, Xiang Zhang, Jiangtan Yuan, Chongyue Yi, Jun Lou, Pulickel M. Ajayan, Wei Zhuang*, Guangyu Zhang, Junrong Zheng; Ultrafast formation of interlayer hot excitons in atomically thin MoS2/WS2 heterostructures; Nature Communications, 2016, 7, 12512 3)Shuang Kong, Tianmin Wu, Min Yuan, Zhiwei Huang, Qing-long Meng, Qike Jiang, Wei Zhuang*, Peng Jiang, Xinhe Bao; Dramatically enhanced thermoelectric performance of MoS2 by introducing MoO2 nanoinclusions; Journal of Material Chemistry A, 2016, 5, 2004-2011 4)Zhiwei Huang, Tianmin Wu, Shuang Kong, Qing-long Meng, Wei Zhuang*, Peng Jiang, Xinhe Bao; Enhancement of anisotropic thermoelectric performance of tungsten disulfide by titanium doping; Journal of Material Chemistry A, 2016, 4, 10159~10165 5)Fasheng Chen, Qiao Zeng, Wei Zhuang*, Wanzhen Liang; Characterizing the Structures, Spectra, and Energy Landscapes Involved in the Excited-State Proton Transfer Process of Red Fluorescent Protein LSSmKate1; Journal of Physical Chemistry B, 2016, 120, 9833-9842 6)Tianmin Wu, Ruexue Xu, Xiao Zheng, Wei Zhuang*; Electronic Structures and Thermoelectric Properties of Two-Dimensional MoS2/MoSe2 Heterostructures; Chinese Journal of Chemical Physics, 2016, 29, 445-452 7)Yuanli Hu, Qiang Zhang, Mingrun Li, Xiulian Pan, Bin Fang, Wei Zhuang*, Xiuwen Han, Xinhe Bao; Facilitated Diffusion of Methane in Pores with a Higher Aromaticity; Journal of Physical Chemistry C; 2016, 120, 19885-19889 8)Tianmin Wu, Tianjun Wang, Xian Chen, Bin Fang, Ruiting Zhang, Wei Zhuang*; Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique; Chinese Physics B, 2016, 25, 018201 9)Zhijun Pan, Tianmin Wu, Tan Jin, Yong Liu, Yuki Nagata, Ruiting Zhang, Wei Zhuang*; Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study; Journal of Chemical Physics, 2015, 142, 12419 10)Bin Fang, Tianjun Wang, Xian Chen, Tan Jin, Ruiting Zhang, Wei Zhuang*; Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO Based on Molecular Dynamics Simulation; Journal of Physical Chemistry B, 2015, 119, 12390-12396 11)Hailong Chen, Qiang Zhang, Xunmin Guo, Xiewen Wen, Jiebo Li, Wei Zhuang*, Junrong Zheng; Nonresonant Energy Transfers Independent on the Phonon Densities in Polyatomic Liquids; Journal of Physical Chemistry A, 2015, 119, 669-680 12)Hailong Chen, Hongtao Bian, Jiebo Li, Xiewen Wen, Qiang Zhang, Wei Zhuang*, Junrong Zheng; Vibrational Energy Transfer: An Angstrom Molecular Ruler in Studies of Ion Pairing and Clustering in Aqueous Solutions; Journal of Physical Chemistry B, 2015, 119, 4333-4349 13)Tianjun Wang, Ruiting Zhang, Tianmin Wu, Huanhuan Li, Wei Zhuang*; Simulating ion clustering in potassium thiocyanate aqueous solutions with various ion-water models; Science China-Chemistry, 2015, 57, 1723-1730 14)Yuneng Shen, Tianmin Wu, Bo Jiang, Ganghua Deng, Jiebo Li, Hailong Chen, Xunmin Guo, Chuanqi Ge, Yajing Chen, Jieya Hong, Xueming Yang, Kaijun Yuan, Junrong Zheng, Wei Zhuang*; Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering; Journal of Physical Chemistry B, 2015, 119, 9893-9904 15)Ruiting Zhang, Wei Zhuang*; Cation effect in the ionic solution optical Kerr effect measurements: A simulation study; Journal of Chemical Physics, 2014, 140(5), 054507 16)Tianmin Wu, Ruiting Zhang, Huanhuan Li, Lijiang Yang, Wei Zhuang*; Discriminating Trpzip2 and Trpzip4 Peptides'Folding Landscape Using the Coherent Vibrational Spectroscopy: a Simulation Study; Journal of Chemical Physics, 2014, 140(5) 17)Ruiting Zhang, Wei Zhuang*; The Effect of Ion Pairingon the Solution Dynamics Investigated by the Simulations of the Optical Kerr Effect and the Dielectric Relaxation Spectra; The Journal of Chemical Physics, 2014, 140(5) 18)Qiang Zhang, Ying Zhao, HuanHuan Li, Yi Qin Gao, Wei Zhuang*; Pairing preferences of the model mono-valence mono-atomic ions investigated by molecular simulation; Journal of Chemical Physics, 2014, 140(18), 184504 19)Jian Song, Wei Zhuang*; Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State Model; Protein Conformational Dynamics, 2014, 805, 199-220 20)Ruiting Zhang, Zhijun Pan, Wei Zhuang*; Modeling the low frequency vibrational spectroscopy of ionic solutions; International Journal of Quantum Chemistry, 2014, 115(9), 564~569 21)Tan Jin, BingBing Zhang, Jian Song, Ling Jiang, Yishen Qiu, Wei Zhuang*; Infrared Signature of the Early Stage Microsolvation in the NaSO4−(H2O)1−5 Clusters: A Simulation Study; Journal of Physical Chemistry A, 2014, 118, 9157-9162 22)Ruiting Zhang, Wei Zhuang*; Effect of ion pairing on the solution dynamics investigated by the simulations of the optical kerr effect and the dielectric relaxation spectra; Journal of Physical Chemistry B, 2013, 117(49), 15395~15406 23)Tianmin Wu, Lijiang Yang, Ruiting Zhang, Qiang Shao, Wei Zhuang*; Modeling the Thermal Unfolding 2DIR Spectra of aβ Hairpin Peptide Based on the Implicit Solvent MD Simulation; Journal of Physical Chemistry A, 2013, 117(29), 6256~6263 24)Hongtao Bian, Hailong Chen, Qiang Zhang, Jiebo Li, Xiewen Wen, Wei Zhuang*, Junrong Zheng; Cation effects on rotational dynamics of anions and water molecules in alkali (Li+, Na+, K+, Cs+) thiocyanate (SCN-) aqueous solutions; Journal of Physical Chemistry B, 2013, 117(26), 7972-7984 25)Qiang Zhang, Bing-bing Zhang, Ling Jiang, Wei Zhuang*; Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism; 化学物理学报, 2013, 26(6), 694-700 26)Qiang Zhang, Wenjun Xie, HongTao Bian, Yi Qin Gao, Junrong Zheng, Wei Zhuang*; Microscopic Origin of the Deviation from Stokes-Einstein Behavior Observed in Dynamics of the KSCN Aqueous Solutions: A MD Simulation Study; Journal of Physical Chemistry B, 2013, 117(10), 2992~3004 27)Jian Song, Fang Gao, Raymond Z. Cui, Feng Shuang, Wanzhen Liang, Xuhui Huang, Wei Zhuang*; Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation; Journal of Physical Chemistry B, 2012, 116(42), 12669~12676 28)Hongtao Bian, Jiebo Li, Qiang Zhang, Hailong Chen, Wei Zhuang*, YiQin Gao, Junrong Zheng; Ion Segregation in Aqueous Solutions; Journal of Physical Chemistry B, 2012, 116(49), 14426-14432 29)Raymond Z. Cui, Daniel-Adriano Silva, Jian Song, Gregory R. Bowman, Wei Zhuang*, Xuhui Huang; Bridging the Gap Between Optical Spectroscopic Experiments and Computer Simulations for Fast Protein Folding Dynamics; Current Physical Chemistry, 2012, 2(1), 45-58 30)ian Song, Wei Zhuang*; Coherent Two Dimensional Infrared Spectroscopy of Proteins: Concepts and Simulations; Progress in Chemistry, 2012, 24(6), 1065-1081 31)il Falvo, Wei Zhuang, Yung Sam Kim, Paul H. Axelsen, Robin M. Hochstrasser, Shaul Mukamel; Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations; Journal of Physical Chemistry B, 2012, 116(10), 3322-3330 32) Zhuang, Raymond Z. Cui, Daniel-Adriano Silva, Xuhui Huang; Simulating the T-Jump-Triggered Unfolding Dynamics of trpzip2 Peptide and Its Time-Resolved IR and Two-Dimensional IR Signals Using the Markov State Model Approach; Journal of Physical Chemistry B, 2011, 115(18), 5415-5424 33)gtao Bian, Jiebo Li, Xiewen Wen, Zhigang Sun, Jian Song, Wei Zhuang*, Junrong Zheng; Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy; Journal of Physical Chemistry A, 2011, 115(15), 3357-3365 34)gtao Bian, Xiewen Wen, Jiebo Li, Hailong Chen, Suzee Han, Xiuquan Sun, Jian Song, Wei Zhuang*, Junrong Zheng; Ion clustering in aqueous solutions probed with vibrational energy transfer; Proceedings of the National Academy of Sciences of the United States of America, 2011, 108(12), 4737 35) Zhuang, Nikolaos G. Sgourakis, Zhenyu Li, Angel E. Garcia, Shaul Mukamel; Discriminating early stage A beta 42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study; Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(36), 15687-15692 36)lanjana Sengupta, Hiroaki Maekawa, Wei Zhuang, Claudio Toniolo, Shaul Mukamel, Douglas J. Tobias, Nien-Hui Ge; Sensitivity of 2D IR Spectra to Peptide Helicity: A Concerted Experimental and Simulation Study of an Octapeptide; Journal of Physical Chemistry B Materials, 2009, 113(35), 12037-12049 37)Zhuang, Tomoyuki Hayashi, Shaul Mukamel; Coherent Multidimensional Vibrational Spectroscopy of Biomolecules: Concepts, Simulations, and Challenges; Angewandte Chemie International Edition, 2009, 48(21), 3750-3781 38)Shaul Mukamel, Darius Abramavicius, Lijun Yang, Wei Zhuang, Igor V. Schweigert, Dmitri V. Voronine; Coherent Multidimensional Optical Probes for Electron Correlations and Exciton Dynamics: From NMR to X-rays; Accounts of Chemical Research, 2009, 42(4), 553-562 39)Zhenyu Li, Haibo Yu, Wei Zhuang, Shaul Mukamel; Geometry and excitation energy fluctuations of NMA in aqueous solution with CHARMM, AMBER, OPLS, and GROMOS force fields: Implications for protein ultraviolet spectra simulation; Chemical Physics Letters, 2008, 452(1-3), 78-83 40)Jianping Wang, Wei Zhuang, Shaul Mukamel, Robin Hochstrasser; Two-dimensional infrared spectroscopy as a probe of the solvent electrostatic field for a twelve residue peptide; Journal of Physical Chemistry B, 2008, 112(19), 5930-5937 41)Cyril Falvo, Tomoyuki Hayashi, Wei Zhuang, Shaul Mukamel; Coherent two dimensional infrared spectroscopy of a cyclic decapeptide Antamanide. A simulation study of the amide-I and A bands; Journal of Physical Chemistry B, 2008, 112(39), 12479-12490 42)V. O. Lorenz, S. Mukamel, Wei Zhuang, S. T. Cundiff; Ultrafast optical spectroscopy of spectral fluctuations in a dense atomic vapor, Physical Review Letters, 2008, 100, 013603 43)Zhenyu Li, Darius Abramavicius, Wei Zhuang, Shaul Mukamel; Two-dimensional electronic correlation spectroscopy of the n pi* and pi pi* protein backbone transitions: A simulation study; Chemical Physics, 2007, 341(1-3), 29-36 44)V. V. Volkov, R. Chelli, Wei Zhuang, F. Nuti, Y. Takaoka, A. M. Papini, S. Mukamel, R. Righini; Electrostatic interactions in phospholipid membranes revealed by coherent 2D IR spectroscopy; Proceedings of the National Academy of Sciences of the United States of America, 2007, 104(39), 15323-15327 45)Wei Zhuang, Darius Abrarnavicius, Dirnitrii V. Voronine, Shaul Mukamel; Simulation of two-dimensional infrared spectroscopy of amyloid fibrils; Proceedings of the National Academy of Sciences of the United States of America, 2007, 104(36), 14233-14236 46)Darius Abramavicius, Shaul Mukamel, Wei Zhuang; Probing molecular chirality via excitonic nonlinear response; Journal of Physics B: Atomic, Molecular and Optical Physics, 2006, 39(24), 5051-5066 47)Wei Zhuang, Darius Abramavicius, Shaul Mukamel; Two-dimensional vibrational optical probes for peptide fast folding investigation; Proceedings of the National Academy of Sciences of the United States of America, 2006, 103(50), 18934-18938 48)Wei Zhuang, Darius Abramavicius, Tomoyuki Hayashi, Shaul Mukamel; Simulation protocols for coherent femtosecond vibrational spectra of peptides; Journal of Physical Chemistry B, 2006, 110(7), 3362-3374 49)Tomoyuki Hayashi, Thomas la Cour Jansen, Wei Zhuang, Shaul Mukamel; Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map; Journal of Physical Chemistry A, 2005, 109(1), 64-82 50)Thomas la Jansen, Tomoyuki Hayashi, Wei Zhuang, Shaul Mukamel; Stochastic Liouville equations for hydrogen-bonding fluctuations and their signatures in two-dimensional vibrational spectroscopy of water; Journal of Chemical Physics, 2005, 123(11) 51)Shaul Mukamel, Wei Zhuang+; Coherent femtosecond multidimensional probes of molecular vibrations; Proceedings of the National Academy of Sciences of the United States of America, 2005, 102(39), 13717-13718 52)Wei Zhuang, Darius Abramavicius, Shaul Mukamel; Dissecting coherent vibrational spectra of small proteins into secondary structural elements by sensitivity analysis; Proceedings of the National Academy of Sciences of the United States of America, 2005, 102(21), 7443-7448 53)Tomoyuki Hayashi, Wei Zhuang, Shaul Mukamel; Electrostatic DFT map for the complete vibrational amide band of NMA; Journal of Physical Chemistry A, 2005, 109(43), 9747-9759 54)Darius Abramavicius, Wei Zhuang, Shaul Mukamel; Peptide secondary structure determination by three-pulse coherent vibrational spectroscopies: A simulation study; Journal of Physical Chemistry B, 2004, 108(46), 18034-18045 55)Thomas la Cour Jansen, Wei Zhuang, Shaul Mukamel; Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine; Journal of Chemical Physics, 2004, 121(21), 10577-10598 56)Wei Zhuang, Christoph Dellago; Dissociation of hydrogen chloride and proton transfer in liquid glycerol: An ab initio molecular dynamics study; Journal of Physical Chemistry B, 2004, 108(51), 19647-19656
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发表于 2017-9-29 13:01:26
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