Optical response of nanostructures

Surrogate-Based Modeling of the Optical Response of Metallic Nanostructures†

Cover ImageCenter for Nanoscale Materials, Mathematics and Computer Science Division, and Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439

J. Phys. Chem. C, 2010, 114 (48), pp 8

DOI: 10.1021/jp1067632

Part of the “Mark A. Ratner Festschrift”.

, * Corresponding author. E-mail: gray@anl.gov., ‡

Center for Nanoscale Materials.

, §

Mathematics and Computer Science Division.


Chemical Sciences and Engineering Division.



We discuss how to apply the Gaussian process model (GPM), also known as “Kriging, ” to the optimization of the optical response of metallic nanostructures. The optical response is calculated with the finite-difference time-domain method, and GPM allows one to locate maxima of the response in a multidimensional system parameter space. A pattern search method is used to validate and slightly improve upon the maxima that we locate. The optical response investigated, the near-field intensity enhancement above a periodic metallic slit structure, is found to be a complicated function consisting of several ridges that make it a very challenging optimization problem. A simple physical analysis is also presented to explain the origins of the system response structure.

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