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Recently, inverse design of such nanoparticulate systems has provided a paradigm shift from empirical trial\u2010and\u2010error approaches toward predictive, model\u2010driven design strategies to achieve desired functionalities. This perspective presents a practical framework for applying inverse design to nanoparticulate materials. We distinguish between two general modeling strategies: knowledge\u2010based design, grounded in a detailed understanding of the underlying physics and chemistry, and data\u2010based design, based on experimental or simulated input\u2013output datasets. Hybrid models bridge these two strategies. Each strategy is further structured into three levels of optimization: (i) process optimization via process functions connecting synthetic parameters with resulting particle properties; (ii) structure optimization via property functions connecting particle properties with macroscopic properties; and (iii) full inverse design via combined property\u2013process relationships. In a tutorial style, we introduce practical steps for model development, calibration, and implementation and discuss design rules to guide the choice of modeling strategy. This perspective thus aims to facilitate the broad adoption of inverse design for nanoparticulate systems, laying the foundation for the development of rigorously optimized, application\u2010specific materials with ideal properties tailored to a given application.<\/jats:p>","DOI":"10.1002\/adma.75110","type":"journal-article","created":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T16:07:23Z","timestamp":1790352443000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Inverse Design of Nanoparticulate Materials"],"prefix":"10.1002","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1279-2503","authenticated-orcid":false,"given":"Nabi Etienne","family":"Traor\u00e9","sequence":"first","affiliation":[{"name":"Institute of Interfaces and Particle Technology (IPT) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg Erlangen Germany"},{"name":"Erlangen Center for Functional Particle Systems (FPS) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg  Erlangen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-9333-6886","authenticated-orcid":false,"given":"Annika","family":"Mauch","sequence":"additional","affiliation":[{"name":"Institute of Interfaces and Particle Technology (IPT) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg Erlangen Germany"},{"name":"Erlangen Center for Functional Particle Systems (FPS) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg  Erlangen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michelle","family":"Berthold","sequence":"additional","affiliation":[{"name":"Institute of Interfaces and Particle Technology (IPT) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg Erlangen Germany"},{"name":"Erlangen Center for Functional Particle Systems (FPS) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg  Erlangen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8001-5832","authenticated-orcid":false,"given":"Lukas","family":"Pflug","sequence":"additional","affiliation":[{"name":"FAU Competence Center Scientific Computing (FAU CSC) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg  Erlangen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2847-107X","authenticated-orcid":false,"given":"Wolfgang","family":"Peukert","sequence":"additional","affiliation":[{"name":"Institute of Interfaces and Particle Technology (IPT) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg Erlangen Germany"},{"name":"Erlangen Center for Functional Particle Systems (FPS) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg  Erlangen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9831-6905","authenticated-orcid":false,"given":"Nicolas","family":"Vogel","sequence":"additional","affiliation":[{"name":"Institute of Interfaces and Particle Technology (IPT) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg Erlangen Germany"},{"name":"Erlangen Center for Functional Particle Systems (FPS) Friedrich\u2010Alexander\u2010Universit\u00e4t Erlangen\u2010N\u00fcrnberg  Erlangen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,9,25]]},"reference":[{"key":"e_1_2_9_2_1","unstructured":"V.Sinkevicius Commission recommendation of 10 June 2022 on the definition of nanomaterial. 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