Dr. LIN Hai from University of Colorado was invited to give a presentation at Institute of Intelligent Machines, Hefei Institutes of Physical Science, Chinese Academy of Sciences on May 31st, 2010. The title of the presentation is “Multiscale Simulations of Large-Size Reactive Systems by Combining Quantum Mechanics and Molecular Mechanics”. Prof.SHUANG presided the Innovation Forum. Many students and professors from Institute of Intelligent Machines and Institute of Solid State Physics joined the discussion.  

Dr. LIN reviewed the frontier of quantum chemistry, and pointed out that the mainstream of simulation of large size reactive systems is combination of quantum mechanics (QM) and molecular mechanics (MM). Dr. LIN said the key to use the method was deciding the boundary of QM and MM subsystems. His research increased accuracy of the simulation by introducing fractional charge transfer and exchange of atoms between QM and MM subsystems.

Dr. LIN is an assistant professor in the department of Chemistry, University of Colorado, Denver. His research focuses on computational chemistry and simulation of molecular dynamics. He has published more than sixty papers and got three international academic awards.