20.500.12556/RUL-176559 Controlling curvature of self-assembling surfaces via patchy particle design Curved surfaces in soft matter and biological systems commonly emerge as a result of self-assembly processes where building blocks aggregate in a controlled manner, giving rise to specific system structure and properties. However, achieving precise control of curvature in assembled structures remains challenging and usually requires tuning of complex interactions between particles. We present an inverse design approach to target self-assembly into surfaces with a specified spherical curvature in a one-component system of model patchy particles. Our optimization framework leverages automatic differentiation and addresses the challenge of exploding gradients when differentiating over chaotic molecular dynamics trajectories, yielding stable gradients suitable for general optimization schemes. We outline the model requirements for successful optimization and determine the significant hyperparameter choices influencing algorithm performance. Finally, we demonstrate that the proposed approach allows us to design interactions for self-assembly into structures with a tunable target curvature, paving the way for new functional materials with precisely controlled geometries. soft matter physics surfaces curvature self-assembly computational methods fizika mehke snovi površine ukivljenost samourejanje računske metode true false true Angleški jezik Slovenski jezik Članek v reviji 2025-12-03 15:49:57 2025-12-03 15:49:58 2025-12-22 04:04:27 0000-00-00 00:00:00 2025 0 0 9 str. art. no. 467 Vol. 8 Nov. 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 51-7:538.9 2399-3650 10.1038/s42005-025-02368-8 259848963 s42005-025-02368-8.pdf s42005-025-02368-8.pdf 1 0AB291DF9A640FEC570CE7A7444A6239 f06c0d9e7c732f80c71e9bd0c3147ec8ce660fd73bc7a46cb8ab64468e095385 22bed3b5-d057-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=222963 https://www.nature.com/articles/s42005-025-02368-8 0 2c15a5aa-d057-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=222964 Fakulteta za matematiko in fiziko 0 0 0