Optimization-Free Inverse Design of High-Dimensional Nanoparticle Electrocatalysts Using Multi-target Machine Learning

Sichao Li, Jonathan Y. C. Ting, Amanda S. Barnard. Optimization-Free Inverse Design of High-Dimensional Nanoparticle Electrocatalysts Using Multi-target Machine Learning. In Derek Groen, Clélia de Mulatier, Maciej Paszynski, Valeria V. Krzhizhanovskaya, Jack J. Dongarra, Peter M. A. Sloot, editors, Computational Science - ICCS 2022 - 22nd International Conference, London, UK, June 21-23, 2022, Proceedings, Part II. Volume 13351 of Lecture Notes in Computer Science, pages 307-318, Springer, 2022. [doi]

Abstract

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