[LA-SiGMA] LASiGMA Seminar Wednesday, April 9th - Priya Vashishta, 3:30pm (Please see new broadcast information)

[shelley lee]

Dear All,

Dr. Priya Vashishta will be giving a talk Wednesday, April 9th at 3:30pm, 1008B, Digital Media Center, Louisiana State University. The title of his talk is "Atomistic Simulations of Hard Matter, Soft Matter and Doesn’t Matter."

Abstract:
Multimillion atom molecular dynamics simulations are used to investigate critical issues in the area of structural and dynamical correlations, and reactive processes in nanostructured materials under extreme conditions. Reactive molecular dynamics simulations of heated aluminum nanoparticles have been performed to study the fast oxidation reaction processes of the core (aluminum)shell (alumina) nanoparticles and small complexes.  Hydrogen production by aluminum super atoms in water could provide a renewable energy cycle, if its reaction kinetics is accelerated. Quantum molecular dynamics simulation reveals rapid hydrogen production from water by an Al superatom consisting of a magic number of aluminum atoms, Aln (for instance, n = 12 or 17). We find a low activation-barrier mechanism, in which a pair of Lewis acid and base sites on the Aln surface preferentially catalyzes hydrogen production.

Biography:
Priya Vashishta is professor in the Mork Family Department of Chemical Engineering and Materials Science with joint appointments in Computer Science and in Physics & Astronomy in the Dornsife College of Letters, arts and Sciences. Prior to joining USC in 2002, along with his colleagues Rajiv K. Kalia and Aiichiro Nakano, Priya Vashishta was the Cray Research Professor of Computational Sciences at the Louisiana State University. Before that he was the Director of the Solid State Science Division at the Department of Energy’s Argonne National Laboratory. His research interests include high performance computing and multi-scale simulations of novel materials and processes.

Also available on site at the locations below:
UNO – 234, Liberal Arts Building
LATech – 122, Nethken Hall
SUBR – 211 J.B. Moore Hall
Xavier – 226 Qatar Pavillion

Please note, this seminar will ONLY be accessible through HD videoconferencing. 
Regards,
Shelley Lee
Project Coordinator
225-578-0465




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