537457
Identification of Optimally Stable Nanoparticle Geometries Via Mathematical Optimization and Density-Functional Theory
Natalie M. Isenberg1, Zihao Yan2, Michael G. Taylor2, Christopher L. Hanselman1, Giannis Mpourmpakis2 and Chrysanthos E. Gounaris1, (1)Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, (2)Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA