Professor
Computational & Physical Chemistry
Nikita Matsunaga
My interest
Did you know that there are chemists like me, who do not use glassware, nor have elaborate experimental set up and do not actually perform experiments?  In my lab., only things you see are computers.  We call ourselves computational chemists.  We try to understand chemistry at its most fundamental level by using computers.  Quantum mechanics is applied in a variety of ways to elucidate interesting problems in chemistry.  In what we do, not only one learns about chemistry, but also one learns how to use computer, how to write programs, and learns numerical methods and quantum physics.  With our interdisciplinary field, application to other fields are growing.  For example, computational chemical biology and materials science are among the growing fields that computational chemistry contributes.
If you are curious, please drop by my office!  We can have a chat or two.
Links
° Anharmonic molecular vibrations
        VSCF
        Diatomic molecules 
° Molecular electronics
        Electronic structure
        Putative molecular diode
° Surface crossing chemical processes
        Intersystem crossing
° WebGAMESS as teaching tool
Contact info.
718-488-1445
718-488-1465 fax
Brooklyn Campus, M600
Yogi of the day:
It's never happened in the World Series competition, and it still hasn't.
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Updated on Sep. 12, 2012