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Murat Keceli

Computational Science 2


Dr. Murat Keçeli is currently working on the development of a software that can perform large scale quantum chemistry simulations (beyond 1,000 atoms) on supercomputers. He is supervised by Dr. Al Wagner in CSE division and he colloborates with Drs. Hong Zhang (MCS), Peter Zapol (MSD), Alvaro Vazquez-Mayagoitia (ALCF) and Prof. David Dixon from the University of Alabama.

He got BS and MS degrees in physics (supervised by Prof. Özgür Oktel) from Bilkent University and a PhD degree in chemical physics (supervised by Prof. So Hirata) from University of Illinois at Urbana-Champaign. His PhD thesis is titled Vibrational many-body methods for molecules and extended systems” and his most important contribution to the field is the development of the size-extensive vibrational self-consistent field (XVSCF) method. After graduation, he joined Prof. Bill Green’s group at MIT, and worked on kinetic model reduction methods and reaction mechanism generator code. A list of his puplications can be found here.