Education:
 Ph.D., Graduate University for Advanced Studies (Institute for Molecular Science), Japan, 1998
 M.S., The University of Tokyo, 1996
 B.S., The University of Tokyo, 1994
Academic Positions:
 Professor, University of Illinois at UrbanaChampaign, 2010present
 Assistant / Associate Professor of Chemistry and Physics, University of Florida, 20042006
 Professor, Department of Computer Science, University of Illinois at UrbanaChampaign, 2007present
 Postdoctoral Research Associate, University of Florida, 19992001
 Visiting Scholar, University of California, Berkeley, 19981999
Research Interests:
 Our research objective is to push the limits of quantitative theories and computing technology to interpret and sometimes predict the properties and transformations of molecules, polymers, and solids computationally. We develop new mathematical methods and computational algorithms to make the fundamental equations of motion of chemistry, which are highdimensional partial differential equations with complex boundary conditions, tractable for numerical solutions. To this end, we study the mathematical structure of wave functions of molecules and solids in various states and asymptotic behavior of interparticle interactions at short and long ranges. The resulting predictive computational methods and software that implements them have the potential of becoming an independent method of discovery in addition to being an essential
interpreter of experimental results.
Selected Publications:
 S. Hirata, M. Keceli, and K. Yagi, "Firstprinciples theories for anharmonic lattice vibrations", The Journal of Chemical Physics, 133, 034109 (2010)
 S. Hirata, E. B. Miller, Y.Y. Ohnishi, and K. Yagi, "On the validity of the BornOppenheimer separation and the accuracy of diagonal corrections in anharmonic molecular vibrations", The Journal of Physical Chemistry A, 113, 1246112469 (2009)
 S. Hirata, "Quantum chemistry of macromolecules and solids", Physical Chemistry Chemical Physics, 11, 83978412 (2009)
 T. Shiozaki, E. F. Valeev, and S. Hirata, "Explicitly correlated coupledcluster methods",Annual Reports of Computational Chemistry, 5, 131148 (2009)
 S. Hirata, "Fast electroncorrelation methods for molecular crystals: An application to the &alpha, &beta_{1}, and &beta_{2} modifications of solid formic acid",The Journal of Chemical Physics, 129, 204104 (2008)
 S. Hirata and K. Yagi, "Predictive electronic and vibrational manybody methods for molecules and macromolecules" Chemical Physics Letters, 464, 123134(2008)
 S. Hirata, "Symbolic algebra in quantum chemistry ", Theoretical Chemistry Accounts, 116, 217 (2006)


