Theoretical Chemistry Institute Seminar Series

Regular Time: Some Monday(s) of each month at 3 p.m.
Regular Place: 8335 Chemistry Building

Send comments or suggest a speaker to Professor Qiang Cui.


  • Oct. 28, 2013: Professor Michael Shirts, University of Virginia
  • Nov. 11, 2013: Professor G. Andreas Cisneros, Wayne State University
  • Feb. 10, 2014: Professor Lynn Kamerlin, Uppsala University
  • Mar. 10, 2014: Professor Edward Valeev, University of Virginia


  • Sept. 24, 2012: Professor Pengyu Ren, University of Texas-Austin
  • Oct. 29, 2012: Professor Gregory Beran, University of California-Riverside
  • Nov. 5, 2012: Professor Nimrod Moiseyev, Technion Israel Institute of Technology
  • Jan. 28, 2013: Professor Jianhua Xing, Virginia Tech
  • Feb. 11, 2013: Professor Thomas Markland, Stanford University
  • March 11, 2013: Professor Ryan Steele, The University of Utah
  • April 8, 2013: Professor Spiridoula Matsika, Temple University
  • May 6, 2013: Professor Joseph Subotnik, University of Pennsylvania


  • Aug. 15, 2011: Professor Shoji Takada, Kyoto University
  • Sept. 26, 2011: Professor Rakwoo Chang, Kwangwoon University
  • Oct. 10, 2011: Professor William Miller, University of California-Berkeley
  • Nov. 7, 2011: Professor Marivi Fernandez-Serra, Stony Brook State University
  • Feb. 6, 2012: Professor Lyudmila Slipchenko, Purdue University
  • March 5, 2012: Professor Francesco Paesani, University of California, San Diego
  • May 7, 2012: Professor Joel Eaves, University of Colorado-Boulder


  • Sept. 21, 2009: Prof. Phillippe C. Hiberty, Laboratoire de Chimie Physique, Universite Paris-Sud XI
    "New concepts in chemical bonding: Charge shift bonding and its manifestations in chemistry"
  • Oct. 2, 2009: Prof. Vassiliy Lubchenko, Department of Chemistry, University of Houston
    "Intrinsic connection between the structure and electronic anomalies of vitreous matter"
  • Oct. 5, 2009: Dr. David Luckhaus, University of British Columbia
    "Hydrogen exchange tunneling: large curvature reaction path dynamics"
  • Jan. 25, 2010: Professor Feng Wang, Boston University
  • Apr. 12, 2010: Prof. William G. Noid, Penn State
  • Apr. 19, 2010: Prof. Dmitri Babikov, Marquette University


  • Nov. 6, 2008: Prof. Yiqin Gao, Department of Chemistry, Texas A&M
    "Understanding Air/Water Interface Structure & Dynamics using novel enhanced sampling techniques"
  • Nov. 10 2008, Prof. Shijie Chen, Department of Physics, University of Missouri
    "RNA folding Dynamics and structural predictions"
  • Nov. 13, 2008: Prof. John Stanton, Department of Chemistry, UT-Austin
  • Dec. 1 2008: Prof. Wei Yang, Department of Chemistry, Florida State University
    "Enhanced Sampling Techniques"
  • Mar. 30 2009: Prof. Tom Miller, Department of Chemistry, Cal-Tech
    "Dynamics of Complex Systems"
  • Apr. 17 2009: Prof. David Hsu, Department of Neurology, UW-Madison
    "Zwanzig-Mori Projection Operators and EEG Dynamics: Deriving A Simple Equation of Motion"

  • Apr. 27 2009: Prof. XiaoSong Li, Department of Chemistry, University of Washington Seattle
    "Ab initio Dynamics and Theories"
  • Sept. 21 2009: Prof. P. C. Hiberty, Laboratoire de Chimie Physique, Univ. de Paris-Sud, France


  • Prof. Chris Ochsenfeld, Institut fuer Physikalische und Theoretische Chemie, Universitaet Tuebingen, Germany
  • Prof. Wonpil Im, Center for Bioinformatics, Department of Molecular Sciences, The University of Kansas
  • Prof. Steve Corcelli, Department of Chemistry, University of Notre-Dame
  • Prof. John Herbert, Department of Chemistry, Ohio State University


  • Nov. 7, 2006: Prof. Yiqin Gao, Department of Chemistry, Texas A&M
  • Feb. 12, 2007: Prof. Thomas Truskett, Department of Chemical Engineering, University of Texas at Austin
  • Feb. 26, 2007: Prof. Jean M. Standard, Department of Chemistry, Illinois State
  • March 12, 2007: Prof. Daniela Kohen, Department of Chemistry, Carleton College
  • April 19, 2007: Prof. Barry Dunietz, Department of Chemistry, University of Michigan
  • Apr. 30 2007: Prof. Srinivasan S. Iyengar, Department of Chemistry, Indiana University


  • Nov. 7, 2005: Prof. Claudio-Margulis, Department of Chemistry, University of Iowa
  • Dec. 12, 2005: Prof. Jin Wang, Department of Chemistry, SUNY-Stony Brook
  • March 6, 2006: Prof. Anatoly Kolomeisky, Department of Chemistry, Rice University
  • March 27, 2006: Prof. Michael Feig, Department of Chemistry and Biochemistry, Michigan State University
  • April 3, 2006: Prof. Aaron Dinner, Department of Chemistry, University of Chicago
  • May 8, 2006: Prof. Adrian Elcock, Department of Biochemistry, University of Iowa


  • Feb. 10. 2005: Prof. G. Balint-Burti, Department of Chemistry, Bristol
    "Ab initio design of laser pulses to control quantum states of molecules"
  • Feb. 21, 2005: Prof. T. Keiderling, Department of Chemistry, University of Illinois at Chicago
    "Theoretical and experimental studies of peptide conformational dynamics using IR spectroscopy"
  • April 18, 2005: Prof. I. Andricio, Department of Chemistry, University of Michigan
    "New theoretical methods for the sampling of complex systems"
  • May 9, 2005: Prof. P. Piecuch, Department of Chemistry, Michigan State University
    "Recent developments in coupled cluster theory"


  • Sept. 16, 2004: Prof. S. Sun, Department of Mechanical Engineering, Johns Hopkins
    "Theoretical model of muscle functions"
  • Oct. 11, 2004: Prof. E. Geva, Department of Chemistry, Univ. of Michigan
    "Simulation of quantum molecular dynamics in the condensed phase: Approximations based on linearizing the path-integral forward-backward action"
  • Nov. 15, 2004: Dr. E. Tajkhorshid, Department of Chemistry and the Beckeman Institute , University of Illinois at Urbana-Champaign, "Molecular simulations of water transport in aqua-porin"
  • Dec. 13, 2004: Prof. D. York, Department of Chemistry, University of Minnesota
    "Multi-scale methods for studying phosphate chemistry in solution and RNA"


  • Dec. 18, 2002: Prof. Shi Jin, Dept. of Mathematics., University of Wisconsin-Madison
    "Computational Issues for Schrodinger Equations in the Semiclassical Regime"
  • Feb. 2003: Prof. S. Gray, Argonne National Laoratory
    "Theoretical studies of reaction in Carbon Nanotubes and design of wave guides"
  • March 2003: Prof. J. Daniel Gezelter, Department of Chemistry, University of Notre Dame
    "Theoretical studies of nano-particle dynamics"
  • April 2003: Prof. Carlos Simmerling, Department of Chemistry, SUNY, Stony Brook
    "Simulations of protein structure and folding: what can we learn?"


  • May 6, 2002: Prof. Tsun-Mei Chang, Department of Chemistry, University of Wisconsin, Parkside
    "Computer simulations of molecular transport across water interfaces"
  • May 20, 2002: Prof. Sabre Kais, Department of Chemistry, Purdue University
    "Quantum phase transitions and stability of atomic and molecular systems"
  • May 30, 2002: Prof. Abraham Kofman, Quantum Optics Group, Weizmann Institute
    "Relaxation of a two-level system strongly coupled to a reservoir: Anomalously slow decoherence"
  • Sept. 30 2002: Prof. J. H. Jensen, Department of Chemistry, University of Iowa
    "The prediction of pKa's and NMR chemical shifts in proteins"
  • Oct. 21 2002: Prof. D.A. Mazziotti, Department of Chemistry, University of Chicago
    "Contracted Schrodinger equation: A new paradigm for the computation of molecular states and processes"
  • Nov. 20 2002: Prof. Xueyu Song, Department of Chemistry, Iowa State University
    "The role of anisotropic interactions in protein crystallization"