Machine-Learning Assisted Structure Determination of Metallic Nanoparticles: A Benchmark

Abstract

Yuewei Lin∗,¶, Mehmet Topsakal∗,†, Janis Timoshenko‡, Deyu Lu†, Shinjae Yoo∗ and Anatoly I. Frenkel‡,§ ∗Computational Science Initiative, Brookhaven National Laboratory, Upton, NY 11973, USA †Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY 11973, USA ‡Department of Materials Science and Chemical Engineering, Stony Brook University, NY 11790, USA §Division of Chemistry, Brookhaven National Laboratory, Upton, NY 11973, USA ¶ywlin@bnl.gov