Self Assembly Problems of Anisotropic Particles in Soft Matter.

Anisotropic building blocks assembled from colloidal particles are attractive building blocks for self-assembled materials because their complex interactions can be exploited to drive self-assembly. In this dissertation we address the self-assembly of anisotropic particles from multiple novel computational and mathematical angles. First, we accelerate algorithms for modeling systems of anisotropic particles via massively parallel GPUs. We provide a scheme for generating statistically robust pseudo-random numbers that enables GPU acceleration of Brownian and dissipative particle dynamics. We also show how rigid body integration can be accelerated on a GPU. Integrating these two algorithms into a GPU-accelerated molecular dynamics code (HOOMD-blue), make a single GPU the ideal computing environment for modeling the self-assembly of anisotropic nanoparticles. Second, we introduce a new mathematical optimization problem, filling, a hybrid of the familiar shape packing and covering problem, which can be used to model shaped particles. We study the rich mathematical structures of the solution space and provide computational methods for finding optimal solutions for polygons and convex polyhedra. We present a sequence of isosymmetric optimal filling solutions for the Platonic solids. We then consider the filling of a hyper-cone in dimensions two to eight and show the solution remains scale-invariant but dependent on dimension. Third, we study the impact of size variation, polydispersity, on the self-assembly of an anisotropic particle, the polymer-tethered nanosphere, into ordered phases. We show that the local nanoparticle packing motif, icosahedral or crystalline, determines the impact of polydispersity on energy of the system and phase transitions. We show how extensions of the Voronoi tessellation can be calculated and applied to characterize such micro-segregated phases. By applying a Voronoi tessellation, we show that properties of the individual domains can be studied as a function of system properties such as temperature and concentration. Last, we consider the thermodynamically driven self-assembly of terminal clusters of particles. We predict that clusters related to spherical codes, a mathematical sequence of points, can be synthesized via self-assembly. These anisotropic clusters can be tuned to different anisotropies via the ratio of sphere diameters and temperature. The method suggests a rich new way for assembling anisotropic building blocks.Ph.D.Applied Physics and Scientific ComputingUniversity of Michigan, Horace H. Rackham School of Graduate Studieshttp://deepblue.lib.umich.edu/bitstream/2027.42/91576/1/phillicl_1.pd

Compiler techniques for scalable performance of stream programs on multicore architectures

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2010.Cataloged from PDF version of thesis.Includes bibliographical references (p. 211-222).Given the ubiquity of multicore processors, there is an acute need to enable the development of scalable parallel applications without unduly burdening programmers. Currently, programmers are asked not only to explicitly expose parallelism but also concern themselves with issues of granularity, load-balancing, synchronization, and communication. This thesis demonstrates that when algorithmic parallelism is expressed in the form of a stream program, a compiler can effectively and automatically manage the parallelism. Our compiler assumes responsibility for low-level architectural details, transforming implicit algorithmic parallelism into a mapping that achieves scalable parallel performance for a given multicore target. Stream programming is characterized by regular processing of sequences of data, and it is a natural expression of algorithms in the areas of audio, video, digital signal processing, networking, and encryption. Streaming computation is represented as a graph of independent computation nodes that communicate explicitly over data channels. Our techniques operate on contiguous regions of the stream graph where the input and output rates of the nodes are statically determinable. Within a static region, the compiler first automatically adjusts the granularity and then exploits data, task, and pipeline parallelism in a holistic fashion. We introduce techniques that data-parallelize nodes that operate on overlapping sliding windows of their input, translating serializing state into minimal and parametrized inter-core communication. Finally, for nodes that cannot be data-parallelized due to state, we are the first to automatically apply software-pipelining techniques at a coarse granularity to exploit pipeline parallelism between stateful nodes. Our framework is evaluated in the context of the StreamIt programming language. StreamIt is a high-level stream programming language that has been shown to improve programmer productivity in implementing streaming algorithms. We employ the StreamIt Core benchmark suite of 12 real-world applications to demonstrate the effectiveness of our techniques for varying multicore architectures. For a 16-core distributed memory multicore, we achieve a 14.9x mean speedup. For benchmarks that include sliding-window computation, our sliding-window data-parallelization techniques are required to enable scalable performance for a 16-core SMP multicore (14x mean speedup) and a 64-core distributed shared memory multicore (52x mean speedup).by Michael I. Gordon.Ph.D

LIPIcs, Volume 244, ESA 2022, Complete Volume

LIPIcs, Volume 244, ESA 2022, Complete Volum

LIPIcs, Volume 274, ESA 2023, Complete Volume

LIPIcs, Volume 274, ESA 2023, Complete Volum

LIPIcs, Volume 258, SoCG 2023, Complete Volume

LIPIcs, Volume 258, SoCG 2023, Complete Volum

Stigmergy for autonomous distributed coordination of satellite clusters

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