We Do Computational Materials Science
To Understand Fundamental Materials Properties
And To Design Entirely New Materials
From June 6th to August 12th 2016, Cheng-Wei attended the CCMS summer institute at Lawrence Livermore National Lab and worked with Dr. Alfredo Correa on developing "Accelerated Electron Dynamics". The major goal of this method is to include the essential excited-state effect into Born-Oppenheimer Molecular Dynamics while still maintaining its preferred time scale over Ehrenfest Dynamics. The preliminary data are promising!
June 13-15 2016, Josh Leveillee attended the 2016 Blue Waters Supercomputer Symposium in Sunriver, Oregon. The goal of the symposium is to bring together National Center for Supercomputing Applications (NSCA) staff, Blue Waters researchers, and National Science Foundation (NSF) representatives to discuss cutting edge computational work performed on the Blue Waters supercomputer.
The two week program provided training in computational methods and their integration in undergraduate curriculum.
André was awarded NSF CAREER AWARD ! Let's congradulate him!
One more Physics graduate student joined in Spring of 2016
One more graduate student joined in Fall of 2015 and the first student from physics department.
We recently used state-of-the-art first-principles calculations to obtain accurate theoretical optical spectra for In2O3 and Ga2O3. We find clear indications of excitonic effects in these materials and we explain the optical anisotropy for Ga2O3.
Two recent publications aim at understanding certain aspects of two different classes of materials: Iodine-based scintillators for radiation detection and both n- and p-type oxides for transparent electronics.
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