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The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…

Applied Physics · Physics 2026-04-07 Chun-Teh Chen , Denvid Lau

Information and correlations in a quantum system are closely related through the process of measurement. We explore such relation in a many-body quantum setting, effectively bridging between quantum metrology and condensed matter physics.…

Quantum Physics · Physics 2012-06-20 Luigi Amico , Davide Rossini , Alioscia Hamma , Vladimir E. Korepin

The emerging field of passive macro-scale tile-based self-assembly (TBSA) shows promise in enabling effective manufacturing processes by harnessing TBSA's intrinsic parallelism. However, current TBSA methodologies still do not fulfill their…

Robotics · Computer Science 2022-06-09 M. Jílek , K. Stránská , M. Somr , M. Kulich , J. Zeman , L. Přeučil

Optimal policies in Markov decision processes (MDPs) are very sensitive to model misspecification. This raises serious concerns about deploying them in high-stake domains. Robust MDPs (RMDP) provide a promising framework to mitigate…

Machine Learning · Computer Science 2019-12-06 Reazul Hasan Russel , Bahram Behzadian , Marek Petrik

The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It…

Soft Condensed Matter · Physics 2024-04-11 Kevin Linka , Ellen Kuhl

Multi-step pathways, constituted of a sequence of reconfigurations, are central to a wide variety of natural and man-made systems. Such pathways autonomously execute in self-guided processes such as protein folding and self-assembly, but…

Soft Condensed Matter · Physics 2018-10-18 Corentin Coulais , Alberico Sabbadini , Fré Vink , Martin van Hecke

For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…

Computational Physics · Physics 2026-05-13 Arnaud Vadeboncoeur , Mark Girolami , Kaushik Bhattacharya , Andrew M. Stuart

Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…

Computational Engineering, Finance, and Science · Computer Science 2020-04-28 Anh Tran , John A. Mitchell , Laura P. Swiler , Tim Wildey

Background The development of a simulation model of full body reaching tasks that can predict endeffector trajectories and joint excursions consistent with experimental data is a non-trivial task. Because of the kinematic redundancy…

Systems and Control · Computer Science 2011-08-10 Daohang Sha , James S Thomas

The past decade has witnessed the advances of artificial intelligence with various applications in engineering. Recently, artificial neural network empowered inverse design for metasurfaces has been developed that can design on-demand…

Machine Learning · Computer Science 2022-11-21 Changhao Liu , Fan Yang , Maokun Li , Shenheng Xu

Contact-aware topology optimization faces challenges in robustness, accuracy, and applicability to internal structural surfaces under self-contact. This work builds on the recently proposed barrier-based Incremental Potential Contact (IPC)…

Optimization and Control · Mathematics 2022-08-26 Zeshun Zong , Xuan Li , Jianping Ye , Sian Wen , Yin Yang , Danny M. Kaufman , Minchen Li , Chenfanfu Jiang

This paper focuses on inverse problems arising in studying multi-population aggregations. The goal is to reconstruct the diffusion coefficient, advection coefficient, and interaction kernels of the aggregation system, which characterize the…

Analysis of PDEs · Mathematics 2025-05-14 Yuhan Li , Hongyu Liu , Catharine W. K. Lo

Experimental advances enabling high-resolution external control create new opportunities to produce materials with exotic properties. In this work, we investigate how a multi-agent reinforcement learning approach can be used to design…

Statistical Mechanics · Physics 2021-11-15 Shriram Chennakesavalu , Grant M. Rotskoff

Machine learning techniques for the solution of inverse problems have become an attractive approach in the last decade, while their theoretical foundations are still in their infancy. In this chapter we want to pursue the study of…

Numerical Analysis · Mathematics 2025-12-10 Martin Burger , Samira Kabri , Gitta Kutyniok , Yunseok Lee , Lukas Weigand

Spontaneous self-assembly in molecular systems is a fundamental route to both biological and engineered soft matter. Simple micellisation, emulsion formation, and polymer mixing principles are well understood. However, the principles behind…

Soft Condensed Matter · Physics 2021-09-21 Alberto Scacchi , Sousa Javan Nikkhah , Maria Sammalkorpi , Tapio Ala-Nissila

We present a physically motivated strategy for the construction of training sets for transferable machine learning interatomic potentials. It is based on a systematic exploration of all possible space groups in random crystal structures,…

Materials Science · Physics 2023-03-29 Marvin Poul , Liam Huber , Erik Bitzek , Jörg Neugebauer

Mutually repelling particles form spontaneously ordered clusters when forced into confinement. The clusters may adopt similar spatial arrangements even if the underlying particle interactions are contrastingly different. Here we demonstrate…

Soft Condensed Matter · Physics 2026-02-13 P. D. S. de Lima , R. De La Cour , K. Gaff , J. M. de Araújo , S. J. Cox , M. S. Ferreira , S. Hutzler

This work is concerned with the micro-architecture of multi-layer material that globally exhibits desired mechanical properties, for instance a negative apparent Poisson ratio. We use inverse homogenization, the level set method, and the…

Optimization and Control · Mathematics 2019-01-30 Grigor Nika , Andrei Constantinescu

In this article we propose an inverse analysis algorithm to find the best fit of multiple material parameters in different coupled multi-physics biofilm models. We use a nonlinear continuum mechanical approach to model biofilm deformation…

Computational Engineering, Finance, and Science · Computer Science 2022-12-26 Harald Willmann , Wolfgang A. Wall

Inverse design of inorganic crystals, in which structures are generated to satisfy a target property while preserving diversity and physical plausibility, remains more demanding than ab initio generation, as property conditioning can…

Materials Science · Physics 2026-05-05 Ibuki Okuda , Izumi Takahara , Teruyasu Mizoguchi