Related papers: Probabilistic inverse design for self assembling m…

Aggregation processes in systems of planar macromolecules and colloids drive a broad range of phenomena in natural systems and soft materials. Depending on chemical architecture, intermolecular interactions in these systems may favor…

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

This paper introduces a new shape-matching methodology, combinative matching, to combine interlocking parts for geometric shape assembly. Previous methods for geometric assembly typically rely on aligning parts by finding identical surfaces…

We study the problem of the self-assembly of nanoparticles (NPs) into finite mesoscopic structures with a programmed local morphology and complex overall shape. Our proposed building blocks are NPs directionally-functionalized with DNA. The…

We introduce a computational method to optimize target physical properties in the full configuration space regarding atomic composition, chemical stoichiometry, and crystal structure. The approach combines the universal potential of the…

Nearly thirty years after its inception, the field of DNA-programmed colloidal self-assembly has begun to realize its initial promise. In this review, we summarize recent developments in designing effective interactions and understanding…

Self-assembly is the autonomous organization of components into patterns or structures: an essential ingredient of biology and a desired route to complex organization. At equilibrium, the structure is encoded through specific interactions,…

Inverse design techniques in the context of nanophotonics have helped in discovery of compact and counter-intuitive structures/shapes. We introduce the concept of spectral domain inverse design to search through the optical trade-space…

The design of complex materials and the formation of specific patterns often arise from the properties of the individual building blocks. In this respect, colloidal systems offer a unique opportunity because nowadays they can be synthesized…

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Inverse design has greatly expanded nanophotonic devices and brought optimized performance. However, the use of inverse design for plasmonic structures has been challenging due to local field concentrations that can lead to errors in…

We perform numerical simulations to study self-assembly of nanoparticles mediated by an elastic planar surface. We show how the nontrivial elastic response to deformations of these surfaces leads to anisotropic interactions between the…

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

The simulated self-assembly of molecular building blocks into functional complexes is a key area of study in computational biology and materials science. Self-assembly simulations of proteins using physically-motivated potentials for…

Solution-phase bottom up self-assembly of nanocrystals into superstructures such as ordered superlattices is an attractive strategy to generate functional materials of increasing complexity, including very recent advances that incorporate…

Hierarchical self-assembly arranges nanostructures at different length scales. It gradually becomes an effective method of fabricating artificial metamaterials from composite nanostructures tailored for a particular response. Hierarchical…

We study inverse statistical mechanics: how can one design a potential function so as to produce a specified ground state? In this paper, we show that unexpectedly simple potential functions suffice for certain symmetrical configurations,…

The kinetics of the self-assembly of nanocomponents into a virus, nanocapsule, or other composite structure is analyzed via a multiscale approach. The objective is to achieve predictability and to preserve key atomic-scale features that…

The generation of nanoscale square and stripe patterns is of major technological importance since they are compatible with industry-standard electronic circuitry. Recently, a blend of diblock copolymer interacting via hydrogen-bonding was…

Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-property (SP) linkage to identify microstructures with targeted…