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Composites with high strength and high fracture resistance are desirable for structural and protective applications. Most composites, however, suffer from poor damage tolerance and are prone to unpredictable fractures. Understanding the…
The PMCHWT integral equation enables the modelling of scattering of time-harmonic fields by penetrable, piecewise homogeneous, systems. They have been generalised to include the modelling of composite systems that may contain junctions,…
The problem of distributed matrix multiplication with straggler tolerance over finite fields is considered, focusing on field sizes for which previous solutions were not applicable (for instance, the field of two elements). We employ…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
In equilibrium self-assembly, microscopic building blocks spontaneously self-organize into stable structures as dictated by their interaction potentials, which limits the accessible structural features to those that correspond to global…
Given a graph $G$ and collection of subgraphs $T$ (called tiles), we consider covering $G$ with copies of tiles in $T$ so that each vertex $v\in G$ is covered with a predetermined multiplicity. The multinomial tiling model is a natural…
We describe a computational model for studying the complexity of self-assembled structures with active molecular components. Our model captures notions of growth and movement ubiquitous in biological systems. The model is inspired by…
Modern high-performance computing architectures (Multicore, GPU, Manycore) are based on tightly-coupled clusters of processing elements, physically implemented as rectangular tiles. Their size and aspect ratio strongly impact the achievable…
Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…
Both biological and artificial self-assembly processes can take place by a range of different schemes, from the successive addition of identical building blocks, to hierarchical sequences of intermediates, all the way to the fully…
Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a…
Multilevel self-assembly involving small structured groups of nano-particles provides new routes to development of functional materials with a sophisticated architecture. Apart from the inter-particle forces, the geometrical shapes and…
We study a scheduling problem in which jobs may be split into parts, where the parts of a split job may be processed simultaneously on more than one machine. Each part of a job requires a setup time, however, on the machine where the job…
We introduce allostery-mimetic building blocks model for self-assembly of 3D structures. We represent the building blocks as patchy particles, where each binding site (patch) can be irreversibly activated or deactivated by binding of the…
In 2004, Klavins et al. introduced the use of graph grammars to describe -- and to program -- systems of self-assembly. We show that these graph grammars can be embedded in a graph rewriting characterization of distributed systems that was…
The scalability of massively parallel algorithms is a fundamental question in computer science. We study the scalability and the efficiency of a conservative massively parallel algorithm for discrete-event simulations where the discrete…
Motivated by the development and deployment of large-scale dynamical systems, often composed of geographically distributed smaller subsystems, we address the problem of verifying their controllability in a distributed manner. In this work…
Monotonic surfaces spanning finite regions of $Z^d$ arise in many contexts, including DNA-based self-assembly, card-shuffling and lozenge tilings. One method that has been used to uniformly generate these surfaces is a Markov chain that…
This study combines simulated annealing with delta evaluation to solve the joint stratification and sample allocation problem. In this problem, atomic strata are partitioned into mutually exclusive and collectively exhaustive strata. Each…
In this paper, we consider the problem of scheduling an application on a parallel computational platform. The application is a particular task graph, either a linear chain of tasks, or a set of independent tasks. The platform is made of…