General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866914104413782016 |
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| author | Guttieres, Livia A. J. Krueger, Ryan K. Drolet, Remi Brenner, Michael P. |
| author_facet | Guttieres, Livia A. J. Krueger, Ryan K. Drolet, Remi Brenner, Michael P. |
| contents | Designing heterogeneous, self-assembling systems is a central challenge in soft matter and biology. We present a framework that uses gradient-based optimization to invert an analytical yield calculation, tuning systems toward target equilibrium yields. We design systems ranging from simple dimers to temperature-controlled shells to polymerizing systems, achieving precise control of self- and non-self-limiting assemblies. By operating directly on closed-form calculations, our framework bypasses trajectory-based instabilities and enables efficient optimization in otherwise challenging regimes. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_17677 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies Guttieres, Livia A. J. Krueger, Ryan K. Drolet, Remi Brenner, Michael P. Soft Condensed Matter Applied Physics Designing heterogeneous, self-assembling systems is a central challenge in soft matter and biology. We present a framework that uses gradient-based optimization to invert an analytical yield calculation, tuning systems toward target equilibrium yields. We design systems ranging from simple dimers to temperature-controlled shells to polymerizing systems, achieving precise control of self- and non-self-limiting assemblies. By operating directly on closed-form calculations, our framework bypasses trajectory-based instabilities and enables efficient optimization in otherwise challenging regimes. |
| title | General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies |
| topic | Soft Condensed Matter Applied Physics |
| url | https://arxiv.org/abs/2510.17677 |