个人简介

Xueyu Song, professor of chemistry, received his B.S. in 1984 and M.S. in 1987 from Nankai University, China. He then attended California Institute of Technology in 1991 and received his Ph.D. in 1995. After working as a postdoctoral fellow at University of California, Berkeley, he joined the faculty at Iowa State University in the fall of 1998.

研究领域

Theoretical and Computational Chemistry

Our research interest focuses on the application and development of theoretical and computational tools for the study of chemical reactions in chemical and biochemical systems. Currently, we are developing theories of electron transfer in solutions and inhomogeneous materials, solvent effects on chemical reactions in condensed phases, solvation dynamics in protein environments, phase behaviors of metallic systems and theory of protein crystallization. Here are some of the projects studied in our group currently: Solvation dynamics in protein environments and inhomogeneous models of proteins' dielectric response, Solvation dynamics in ionic fluids and an extended Debye-Hückel theory, Theory of protein crystallization and protein-protein interactions, Phase behaviors of metallic systems

近期论文

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V.B. Warshavsky and X. Song, Fundamental measure density functional theory study of crystal/melt interface of the hard spheres system , Phys. Rev. E, 73, 031110(2006). Headley, L. S.; Mukherjee, P.; Anderson, J. L.; Ding, R.; Halder, M.; Armstrong, D. W.; Song, X.; Petrich, J. W., Dynamic Solvation in Imidazolium-Based Ionic Liquids on Short Time Scales , J. Phys. Chem. B, 110, 9549(2006). Halder, M.; Headley, L. S.; Mukherjee, P.; Song, X.; Petrich, J. W., Experimental and Theoretical Investigations of Solvation Dynamics of Ionic Fluids: Appropriateness of Dielectric Theory and the Role of DC Conductivity , J. Phys. Chem. B, 110, 8623(2006). Y. Mu and X. Song, Calculations of crystal-melt interfacial free energies of hard-dumbbell systems, Phys. Rev. E ,74,031611(2006). M. Halder, P. Mukherjee, S. Bose, M.S. Hargrove, X. Song and J.W. Petrich, Solvation dynamics in protein environments: Comparison of fluorescence upconversion measurements of coumarin 153 in monomeric hemeproteins with molecular dynamics simulations, J. Chem. Phys. ,127,055101(2007). V.B. Warshavsky and X. Song, Theoretical studies of the correlations in binary hard-sphere solid mixtures , Phys. Rev. E, 77, 051106(2008). V.B. Warshavsky and X. Song, Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard - Jones mixtures , J. Chem. Phys., 129, 034506(2008). V.B. Warshavsky and X. Song, Phase diagrams of alloys calculated from a density functional theory, Phys. Rev. B, 79, 014101(2009). S. Bose, R. Adhikary, P. Mukherjee, X. Song, and J.W. Petrich, Considerations for the Construction of the Solvation Correlation Function and Implications for the Interpretation of Dielectric Relaxation in Proteins, J. Phys. Chem. B 113, 11049(2009). X. Song,Solvation dynamics in ionic fluids: An extended Debye-Huckel dielectric continuum model, J. Chem. Phys. 131, 044503(2009). V.B. Warshavsky and X.Song, Perturbation theory for solid–liquid interfacial free energies, J. Phys. Condens. Matter, 22, 364112(2010). B. Kim, J. Song and X. Song, Calculations of the binding affinities of protein-protein complexes with the fast multipole method, J. Chem. Phys. 133, 095101(2010). B. Kim and X. Song,Calculations of the Second Virial Coefficients of Protein Solutions with an Extended Fast Multipole Method, Phys. Rev. E 83, 011915(2011). S. Bose, R. Adhikary, C. Barnes, D. Fulton, M. Hargrove, X. Song and J. W. Petrich, Comparison of the Dielectric Response Obtained from Fluorescence Upconversion Measurements and Molecular Dynamics Simulations for Coumarin 153-Apomyoglobin Complexes and Structural Analysis of the Complexes by NMR and Fluorescence Methods, J. Phys. Chem. A 115, 3630(2011). T. Xiao and X. Song, A molecular Debye-Huckel theory and its applications to electrolyte solutions, J. Chem. Phys. 135, 104104(2011). V.B. Warshavsky and X. Song, Perturbation theory of solid-liquid interfacial free energies of bcc metals, Phys. Rev. E, 86,031602 (2012). T. Xiao and X. Song, Reorganization energy of electron transfer processes in ionic fluids:a molecular Debye-Huckel approach , J. Chem. Phys., 138,114105(2013). T. Xiao and X. Song, A molecular Debye-H¨uckel approach to the reorganization energy of electron transfer reactions in an electric cell, J. Chem. Phys.,141,134104 (2014). K. G. S. H. Gunawardana, S. R. Wilson, and M. I. Mendelev and X. Song, Theoretical calculation of the melting curve of Cu-Zr alloys, Phys. Rev. E, 90, 052403(2014). K. G. S. H. Gunawardana and X. Song,, Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theor, J.Phys. Chem. B,(2014).