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The design of fusion devices is typically based on computationally expensive simulations. This can be alleviated using high aspect ratio models that employ a reduced number of free parameters, especially in the case of stellarator…
We prove a Pumping Lemma for the noncooperative abstract Tile Assembly Model, a model central to the theory of algorithmic self-assembly since the beginning of the field. This theory suggests, and our result proves, that small differences…
Understanding the complex self-assembly of biomacromolecules is a major outstanding question. Microtubules are one example of a biopolymer that possesses characteristics quite distinct from standard synthetic polymers that are derived from…
Multiblock copolymer chains in implicit nonselective solvents are studied by Monte Carlo method which employs a parallel tempering algorithm. Chains consisting of 120 $A$ and 120 $B$ monomers, arranged in three distinct microarchitectures:…
The ability to tune the microstructures formed by block copolymers using accessible physical approaches provides control for practical material applications. A common strategy involves the addition of homopolymers, which can induce…
Controlled micro- to meso-scale porosity is a common materials design goal with possible applications ranging from molecular gas adsorption to particle size selective permeability or solubility. Here, we use inverse methods of statistical…
We investigate the phase behavior of symmetric AB diblock copolymers confined into a thin film. The film boundaries are parallel, impenetrable and attract the A component of the diblock copolymer. Using a self-consistent field technique…
Achieving quantum-limited motional control of optically trapped particles beyond the sub-micrometer scale is an outstanding problem in levitated optomechanics. A key obstacle is solving the light scattering problem and identifying particle…
Inverse design in nanophotonics, the computational discovery of structures achieving targeted electromagnetic (EM) responses, has become a key tool for recent optical advances. Traditional intuition-driven or iterative optimization methods…
We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically…
Penalty methods have proven to be particularly effective for achieving the required $C^1$-continuity in the context of multi-patch isogeometric Kirchhoff-Love shells. Due to their conceptual simplicity, these algorithms are readily…
The construction of highly incoherent frames, sequences of vectors placed on the unit hyper sphere of a finite dimensional Hilbert space with low correlation between them, has proven very difficult. Algorithms proposed in the past have…
The simulation of nanophotonic structures relies on electromagnetic solvers, which play a crucial role in understanding their behavior. However, these solvers often come with a significant computational cost, making their application in…
In this work, we propose a new local optimization method to solve a class of nonconvex semidefinite programming (SDP) problems. The basic idea is to approximate the feasible set of the nonconvex SDP problem by inner positive semidefinite…
We systematically investigate the self-assembly of anisotropic cone-shaped particles decorated by ring-like attractive patches. We demonstrate that the self-assembled clusters, which arise due to the conical particle's anisotropic shape…
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…
Nonlinear parametric inverse problems appear in many applications and are typically very expensive to solve, especially if they involve many measurements. These problems pose huge computational challenges as evaluating the objective…
We propose a neural network-based computational framework for the simultaneous optimization of structural topology, curved layers, and path orientations to achieve strong anisotropic strength in fiber-reinforced thermoplastic composites…
We present a method to match three dimensional shapes under non-isometric deformations, topology changes and partiality. We formulate the problem as matching between a set of pair-wise and point-wise descriptors, imposing a continuity prior…
A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach groups of monomers are mapped onto a single pseudoatom (a blob) and the…