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A flexible framework for large-scale FDTD simulations: open-source inverse design for 3D nanostructures

Research output: Chapter in book/report/conference proceedingConference contributionResearchpeer review

Details

Original languageEnglish
Title of host publicationPhotonic and Phononic Properties of Engineered Nanostructures XV
EditorsAli Adibi, Shawn-Yu Lin, Axel Scherer
PublisherSPIE
ISBN (electronic)9781510685024
Publication statusPublished - 19 Mar 2025
EventPhotonic and Phononic Properties of Engineered Nanostructures XV - San Francisco, United States
Duration: 27 Jan 202531 Jan 2025

Publication series

NameProceedings of SPIE - The International Society for Optical Engineering
Volume13377
ISSN (Print)0277-786X
ISSN (electronic)1996-756X

Abstract

We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation implementation, our software enables gradient-based optimization over large simulation volumes. Gradient computation is implemented within the JAX framework and based on the property of time reversibility in Maxwell’s equations. This approach significantly reduces computational time and memory requirements compared to traditional FDTD methods. Gradient-based optimization facilitates the automatic creation of intricate three-dimensional structures with millions of design parameters, which would be infeasible to design manually. We demonstrate the scalability of the solver from single to multiple GPUs through several inverse design examples, highlighting its robustness and performance in large-scale photonic simulations. In addition, the package features an object-oriented and user-friendly API that simplifies the specification of materials, sources, and constraints. Specifically, it allows for intuitive positioning and sizing of objects in absolute or relative coordinates within the simulation scene. By rapid specification of the desired design properties and rapid optimization within the given user constraints, this open-source framework aims to accelerate innovation in photonic inverse design. It yields a powerful and accessible computational tool for researchers, applicable in a wide range of use cases, including but not limited to photonic waveguides, active devices, and photonic integrated circuits.

Keywords

    Automatic Differentiation, FDTD, Inverse Design

ASJC Scopus subject areas

Cite this

A flexible framework for large-scale FDTD simulations: open-source inverse design for 3D nanostructures. / Mahlau, Yannik; Schubert, Frederik; Bethmann, Konrad et al.
Photonic and Phononic Properties of Engineered Nanostructures XV. ed. / Ali Adibi; Shawn-Yu Lin; Axel Scherer. SPIE, 2025. 1337709 (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 13377).

Research output: Chapter in book/report/conference proceedingConference contributionResearchpeer review

Mahlau, Y, Schubert, F, Bethmann, K, Caspary, R, Lesina, AC, Munderloh, M, Ostermann, J & Rosenhahn, B 2025, A flexible framework for large-scale FDTD simulations: open-source inverse design for 3D nanostructures. in A Adibi, S-Y Lin & A Scherer (eds), Photonic and Phononic Properties of Engineered Nanostructures XV., 1337709, Proceedings of SPIE - The International Society for Optical Engineering, vol. 13377, SPIE, Photonic and Phononic Properties of Engineered Nanostructures XV, San Francisco, California, United States, 27 Jan 2025. https://doi.org/10.1117/12.3052639
Mahlau, Y., Schubert, F., Bethmann, K., Caspary, R., Lesina, A. C., Munderloh, M., Ostermann, J., & Rosenhahn, B. (2025). A flexible framework for large-scale FDTD simulations: open-source inverse design for 3D nanostructures. In A. Adibi, S.-Y. Lin, & A. Scherer (Eds.), Photonic and Phononic Properties of Engineered Nanostructures XV Article 1337709 (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 13377). SPIE. https://doi.org/10.1117/12.3052639
Mahlau Y, Schubert F, Bethmann K, Caspary R, Lesina AC, Munderloh M et al. A flexible framework for large-scale FDTD simulations: open-source inverse design for 3D nanostructures. In Adibi A, Lin SY, Scherer A, editors, Photonic and Phononic Properties of Engineered Nanostructures XV. SPIE. 2025. 1337709. (Proceedings of SPIE - The International Society for Optical Engineering). doi: 10.1117/12.3052639
Mahlau, Yannik ; Schubert, Frederik ; Bethmann, Konrad et al. / A flexible framework for large-scale FDTD simulations : open-source inverse design for 3D nanostructures. Photonic and Phononic Properties of Engineered Nanostructures XV. editor / Ali Adibi ; Shawn-Yu Lin ; Axel Scherer. SPIE, 2025. (Proceedings of SPIE - The International Society for Optical Engineering).
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abstract = "We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation implementation, our software enables gradient-based optimization over large simulation volumes. Gradient computation is implemented within the JAX framework and based on the property of time reversibility in Maxwell{\textquoteright}s equations. This approach significantly reduces computational time and memory requirements compared to traditional FDTD methods. Gradient-based optimization facilitates the automatic creation of intricate three-dimensional structures with millions of design parameters, which would be infeasible to design manually. We demonstrate the scalability of the solver from single to multiple GPUs through several inverse design examples, highlighting its robustness and performance in large-scale photonic simulations. In addition, the package features an object-oriented and user-friendly API that simplifies the specification of materials, sources, and constraints. Specifically, it allows for intuitive positioning and sizing of objects in absolute or relative coordinates within the simulation scene. By rapid specification of the desired design properties and rapid optimization within the given user constraints, this open-source framework aims to accelerate innovation in photonic inverse design. It yields a powerful and accessible computational tool for researchers, applicable in a wide range of use cases, including but not limited to photonic waveguides, active devices, and photonic integrated circuits.",
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AU - Schubert, Frederik

AU - Bethmann, Konrad

AU - Caspary, Reinhard

AU - Lesina, Antonio Calà

AU - Munderloh, Marco

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