Investigating the Optical Properties of Gold Nanorods Using Forward and Inverse Design.

Investigating the Optical Properties of Gold Nanorods Using Forward and Inverse Design.

Islam, Sabrina; Mohsin, Abu S M; Bhuian, Mohammed Belal Hossain; Rahman, Md Mosaddequr
ACS omega 2026 Vol. 11 pp. 29374-29389
15
sabrina2026investigating

Abstract

Nanoparticles exhibit distinct optical properties due to their size, shape, and material composition, making them useful in photonics, sensing, and biological applications. Mie and Mie-Gans theory can be used to compute the optical properties of spherical and rod-shaped nanoparticles, which are limited by surface scattering and radiation damping; however, it cannot explain the optical properties of bipyramid, dumbbell, cube, and rectangular-shaped nanoparticles. Advanced computational techniques like Finite Difference Time Domain (FDTD) could be used to simulate the optical properties of complex-shaped nanoparticles, which is time-consuming and complex. To address this, we proposed to use a machine and deep learning-based forward and inverse design to explore the optical properties of gold nanorods. In forward design, we evaluated five different models and identified the XGB Regressor as the best performing model (MSE: 0.0041, MAE: 0.0190, R: 0.994), which accurately predicts the absorption and scattering cross sections of the gold nanorod across a wavelength range of 400-1500 nm. For inverse design, we found the tandem model (MSE:0.000116, MAE: 0.004476, R: 0.9521), which accurately identifies the length (), width (), and aspect ratio (AR) of the gold nanorod for achieving desired optical responses. The results provide critical insights into the underlying physics of optical effects in nanoparticles and demonstrate the capability of the integrated forward-inverse methodology for the systematic design of photonic devices and applications based on nanoparticles. The study's findings will aid in investigating the optical properties of complex-shaped nanoparticles by leveraging the synthesis and numerical complexity and optical response. The findings will pave the way for the use of specific-size-and-shape nanoparticles with specific optical properties (such as absorption and scattering) in photothermal therapy, bioimaging, biological sensing, solar cells, photonic devices, nanoantennas, and cell biology.

Citation

ID: 283905
Ref Key: sabrina2026investigating
Use this key to autocite in SciMatic or Thesis Manager

References

Blockchain Verification

Account:
NFT Contract Address:
0x95644003c57E6F55A65596E3D9Eac6813e3566dA
Article ID:
283905
Unique Identifier:
10.1021/acsomega.5c05623
Network:
Scimatic Chain (ID: 481)
Loading...
Blockchain Readiness Checklist
Authors
Abstract
Journal Name
Year
Title
5/5
Creates 1,000,000 NFT tokens for this article
Token Features:
  • ERC-1155 Standard NFT
  • 1 Million Supply per Article
  • Transferable via MetaMask
  • Permanent Blockchain Record
Blockchain QR Code
Scan with Saymatik Web3.0 Wallet

Saymatik Web3.0 Wallet