Prof. Wei Zhuang
Email：wzhuang@fjirsm.ac.cn
Tel.：0591-63173354
Research Interests:
1. Study on dynamics theory in new energy system;
2. Theoretical calculation of homogeneous and heterogeneous catalysis.
Publications：
(1)Ion effect on the dynamics of water hydrogen bonding network: A theoretical and computational spectroscopy point of view, WIREs Comput. Mol. Sci., 2018
(2)Realizing p-Type MoS2 with Enhanced Thermoelectric Performance by Embedding VMo2S4 Nanoinclusions, J. Phys. Chem. B, 2018
(3)Ultrafast probes of electron–hole transitions between two atomic layers， nature communications, 2018
(4)Molecular mechanism of water reorientational slowing down in concentrated ionic solutions, Proc. Natl. Acad. Sci. USA, 2017
(5)The opposite effects of sodium and potassium cations on water dynamics, Chem. Sci.， 2017
(6)A Small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase, Free Radical Bio. Med., 2017
(7)Dramatically enhanced thermoelectric performance of MoS2 by introducing MoO2 nanoinclusions,J. Mater. Chem. A, 2017
(8)Ultrafast formation of interlayer hot excitons in atomically thin MoS2/WS2 heterostructures, nature communications, 2016
（9） Enhancement of anisotropic thermoelectric performance of tungsten disulfide by titanium doping, J. Mater. Chem. A, 2016,
（10） Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study, J. Chem. Phys., 2015
（11） Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering, J. Phys. Chem. B, 2015
（12） Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering, J. Phys. Chem. B, 2015
（13） Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO Based on Molecular Dynamics Simulation, J. Phys. Chem. B, 2015
（14） Nonresonant Energy Transfers Independent on the Phonon Densities in Polyatomic Liquids, J. Phys. Chem. A, 2015
（15） Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO Based on Molecular Dynamics Simulation, J. Phys. Chem. B, 2015
（16） Vibrational Energy Transfer: An Angstrom Molecular Ruler in Studies of Ion Pairing and Clustering in Aqueous Solutions, J. Phys. Chem. B, 2015
（17） Infrared Signature of the Early Stage Microsolvation in the NaSO4-(H2O)1-5 Clusters:A Simulation Study, the journal of physical chemistry, 2014,
（18） Pairing preferences of the model mono-valence mono-atomic ions investigated by, The Journal of Chemical Physics, 2014
（19） Cation effect in the ionic solution optical Kerr effect measurements: A simulation study, The Journal of Chemical Physics, 2014
（20） Discriminating trpzip2 and trpzip4 peptides’ folding landscape using the two- dimensional infrared spectroscopy: A simulation study, The Journal of Chemical Physics, 2014,
（21） Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy, J. Phys. Chem. B, 2011
（22） Ion Clustering in Aqueous Solutions Probed with Vibrational Energy Transfer, Proceedings of National Academy of Sciences, 2011
（23） Simulating the T-Jump Triggered Unfolding Dynamics of Trpzip2 Peptide and its Time Resolved IR and 2DIR Signals Using Markov State Model Approach, J. Phys. Chem. B, 2011
（24） Discriminating early stage Aβ42 monomer structures using chirality-induced 2DIR spectroscopy: a simulation study, Proceeding of National Academy of Science, 2010, 第
（25） Coherent Multidimensional Vibrational Spectroscopy of Biomolecules: Concepts, Simulations and Challenges, Angew.Chem. Int. Edit, 2009
（26） Simulation of two-dimensional infrared spectroscopy of amyloid fibrils, Proceedings of National Academy of Sciences, 2007
（27） Simulation Protocols for Coherent Femtosecond Vibrational Spectra of Peptides, J. Phys. Chem. B, 2006
（28） Novel Two-Dimensional Vibrational Optical Probes for Peptide Fast Folding Investigation, Proceedings of National Academy of Sciences, 2006
（29） Dissecting Coherent Vibrational Spectra of Small Proteins into Secondary Structural Elements by Sensitivity Analysis, Proceedings of National Academy of Sciences, 2005,
（30） Dissociation of Hydrogen Chloride and Proton Transfer in Liquid Glycerol: An Ab Initio Molecular Dynamics Study, J. Phys. Chem. B, 2004
