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We study ground states of a hybrid system consisting of a polymer and an attractive nanowire by means of computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer…
The need for advanced materials has led to the development of complex, multi-component alloys or solid-solution alloys. These materials have shown exceptional properties like strength, toughness, ductility, electrical and electronic…
Dimer models are well known as prototypes for locally constrained physics. They describe systems in which every site on a lattice must be attached to one dimer. Loop models are an extension of this idea, with the constraint that two dimers…
Cross-sections of cell shapes in a tissue monolayer typically resemble a tiling of convex polygons. Yet, examples exist where the polygons are not convex with curved cell-cell interfaces, as seen in the adaxial epidermis. To date,…
Motivated by the relevance of higher-order interactions in quantum physics and materials science at the nanoscale, recently a model has been introduced for new classes of networks that grow by the geometrically constrained aggregation of…
We consider two (2D) and three (3D) dimensional granular systems exposed to compression, and ask what is the influence of the number of physical dimensions on the properties of the interaction networks that spontaneously form as these…
Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…
In the present work, neural networks are applied to formulate parametrised hyperelastic constitutive models. The models fulfill all common mechanical conditions of hyperelasticity by construction. In particular, partially input-convex…
Atoms deposited on two-dimensional (2D) electronic materials, such as graphene, can exhibit unconventional many-body correlations, not accessible in other settings. All of these are driven by van der Waals forces: between the atoms…
The design of periodic nanostructures allows to tailor the transport of photons, phonons, and matter waves for specific applications. Recent years have seen a further expansion of this field by engineering topological properties. However,…
We report about a mechanism for surface localization, present in finite defect-free polyatomic lattices described by a tight binding model. Numerical diagonalization and degenerated perturbation theory show that there is a minimum number of…
Computational methods for designing interactions between colloidal particles that induce self-assembly have received much attention for their promise to discover tailored materials. However, it often remains a challenge to translate…
A microscopic configuration-interaction (CI) methodology is introduced to enable bottom-up Schroedinger-equation emulation of unconventional superconductivity in ultracold optical traps. We illustrate the method by exploring the properties…
Topological representations are rapidly becoming a popular way to capture and encode higher-order interactions in complex systems. They have found applications in disciplines as different as cancer genomics, brain function, and…
In the present work, two machine learning based constitutive models for finite deformations are proposed. Using input convex neural networks, the models are hyperelastic, anisotropic and fulfill the polyconvexity condition, which implies…
The design of hydrogels that combine mechanical robustness with dynamic reconfigurability remains a fundamental challenge, as increasing crosslink dissociation rates compromise network integrity. This limitation is addressed through the…
Two-dimensional (2D) superconductors provide a powerful building block for engineering emergent quantum states shaped by reduced dimensionality, enhanced quantum fluctuations, and interfacial symmetry breaking. In van der Waals…
Random impedance networks are widely used as a model to describe plasmon resonances in disordered metal-dielectric nanocomposites. In order to study thin films, two-dimensional networks are often used despite the fact that such networks…
Carbon-elastomer composites exhibit complex piezoresistive behaviour that cannot be fully explained by existing macroscopic or microstructural models. In this work, we introduce a network-based modelling methodology to explore the…
We apply the computational methodology of phase retrieval to the problem of folding heteropolymers. The ground state fold of the polymer is defined by the intersection of two sets in the configuration space of its constituent monomers: a…