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At least 1,585 records · Page 88

Coupling Visualization, Simulation, and Deep Learning for Ensemble Steering of Complex Energy Models

We describe a new framework that allows users to explore and steer ensembles of energy systems simulations by coupling multiple energy models and interactive visualization through a dataflow API. Through the visual interface, users can interactively explore complex parameter spaces populated by hundreds, or thousands, of simulation runs and interactively spawn new simulations to 'fill in' regions of interest in the parameter space. The computational and visualization capabilities reside within a general-purpose dataflow architecture for connecting producers of multidimensional timeseries data, such as energy simulations, with consumers of that data, whether they be visualizations, statistical analyses, or datastores. Fast computation and agile dataflow can enhance the engagement with energy simulations, allowing users to populate the parameter space in real time. However, many energy simulations are far too slow to provide an interactive response. To support interactive feedback, we are creating reduced-form simulations developed through machine learning techniques, which provide statistically sound estimates of the results of the full simulations at a fraction of the computational cost. These reduced-form simulations have response times on the order of seconds, suitable for real-time human-in-the-loop design and analysis. The approximation methods apply to a wide range of computational models, including supply-chain models, electric power grid simulations, and building models. Such reduced-form representations do not replace or re-implement existing simulations, but instead supplement them by enabling rapid scenario design and exploration for large ensembles of simulations. The improved understanding, facilitated by the reduced-form models, dataflow API, and visualization tools, allows researchers to better allocate computational resources to capture informative relationships within the system as well as provide a low-cost method for validating and quality-checking large-scale modeling efforts.

97 MATHEMATICS AND COMPUTING↗

PandAna: A Python Analysis Framework for Scalable High Performance Computing in High Energy Physics

Modern experiments in high energy physics analyze millions of events recorded in particle detectors to select the events of interest and make measurements of physics parameters. These data can often be stored as tabular data in files with detector information and reconstructed quantities. Current techniques for event selection in these files lack the scalability needed for high performance computing environments. We describe our work to develop a high energy physics analysis framework suitable for high performance computing. This new framework utilizes modern tools for reading files and implicit data parallelism. Framework users analyze tabular data using standard, easy-to-use data analysis techniques in Python while the framework handles the file manipulations and parallelism without the user needing advanced experience in parallel programming. In future versions, we hope to provide a framework that can be utilized on a personal computer or a high performance computing cluster with little change to the user code.

Groh, Micah↗

Optimization of Multi-Fidelity Computer Experiments via the EQIE Criterion

Computer experiments based on mathematical models are powerful tools for understanding physical processes. This article addresses the problem of kriging-based optimization for deterministic computer experiments with tunable accuracy. Our approach is to use multi- delity computer experiments with increasing accuracy levels and a nonstationary Gaussian process model. We propose an optimization scheme that sequentially adds new computer runs by following two criteria. The first criterion, called EQI, scores candidate inputs with given level of accuracy, and the second criterion, called EQIE, scores candidate combinations of inputs and accuracy. Here, from simulation results and a real example using finite element analysis, our method out-performs the expected improvement (EI) criterion which works for single-accuracy experiments.

97 MATHEMATICS AND COMPUTING↗

A Screen Space GPGPU Surface LIC Algorithm for Distributed Memory Data Parallel Sort Last Rendering Infrastructures

The surface line integral convolution(LIC) visualization technique produces dense visualization of vector fields on arbitrary surfaces. We present a screen space surface LIC algorithm for use in distributed memory data parallel sort last rendering infrastructures. The motivations for our work are to support analysis of datasets that are too large to fit in the main memory of a single computer and compatibility with prevalent parallel scientific visualization tools such as ParaView and VisIt. By working in screen space using OpenGL we can leverage the computational power of GPUs when they are available and run without them when they are not. We address efficiency and performance issues that arise from the transformation of data from physical to screen space by selecting an alternate screen space domain decomposition. We analyze the algorithm's scaling behavior with and without GPUs on two high performance computing systems using data from turbulent plasma simulations.

Loring, Burlen↗

Experimental Characterization of OpenMP Offloading Memory Operations and Unified Shared Memory Support

The OpenMP specification recently introduced support for unified shared memory, allowing implementation to leverage underlying system software to provide a simpler GPU offloading model where explicit mapping of variables is optional. Support for this feature is becoming more available in different OpenMP implementations on several hardware platforms. A deeper understanding of the different implementation’s execution profile and performance is crucial for applications as they consider the performance portability implications of adopting a unified memory offloading programming style. This work introduces a benchmark tool to characterize unified memory support in several OepnMP compilers and runtimes, with emphasis on identifying discrepancies between different OpenMP implementations as to how they various memory allocation strategies interact with unified shared memory. The benchmark tool is used to characterize OpenMP compilers on three leading High Performance Computing platforms supporting different CPU and device architectures. The benchmark tool is used to assess the impact of enabling unified shared memory on the performance of memory-bound code, highlighting implementation differences that should be accounted for when applications consider performance portability across platforms and compilers.

Elwasif, Wael↗

High Flux Isotope Reactor Low Enriched Uranium U-10Mo Fuel Design Parameters

Activities to convert the HFIR from HEU to LEU are ongoing as part of the US Department of Energy (DOE) National Nuclear Security Administration (NNSA) nuclear nonproliferation mission. Design activities to study the conversion of HFIR from HEU to LEU fuel explored different fuel design features and shapes with a uranium-molybdenum (U-10Mo) monolithic alloy fuel. This high-density alloy contains 90 wt % uranium and 10 wt % molybdenum and has a uranium density of 15.318gU/cm 3 . The goal of these studies is to generate several candidate HFIR LEU fuel designs of varying fuel fabrication complexity that meet the current HEU performance metrics and safety requirements. Recent advancements in modeling and simulation tools and design methods enabled a thorough analysis of the available design space with U-10Mo fuel. A surrogate model used this analysis as training data to quickly determine the performance of a design given specific design parameters. An optimization module used this surrogate model to quickly search this multidimensional search space given specific desired performance characteristics. This approach was made possible by the large available design space with U-10Mo fuel. Shift, a Monte Carlo tool optimized for high-performance computing (HPC) architectures, was used for faster calculation and better data management for reactor physics simulations. Once most of these design studies were complete, a new suite called the Python HFIR Analysis and Measurement Engine (PHAME) was developed to connect all fuel design analysis steps, making design studies more efficient and reproducible. The post-processing capabilities of these new tools are leveraged for the information provided herein. Leveraging these tools, several candidate fuel designs were selected with varying levels of feature complexity and reactor performance. This report provides design feature details for four selected HFIR LEU U-10Mo fuel designs and their corresponding performance and safety metrics. Nominal best-estimate design parameters and irradiation conditions, including fission rate densities, power densities, heat fluxes, and cumulative fission densities, are provided. Simulations show that the high uranium density of U-10Mo fuel provides a large potential design space that enables various LEU designs to meet HEU core performance metrics and safety requirements with a power increase from 85 MW (HEU) to 95 MW or 100 MW (LEU).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

EUV spectra of europium—Chasing for spectral lines of P- to Ar-like ions

The understanding of atomic structure implies a combination of accurate measurements and a reliable theoretical framework. Atomic structure computations are employed to bridge the many gaps in the experimental data, but their results need to be tested by measurements. We have selected extreme ultraviolet spectra of europium (Eu, Z = 63) for such tests. We study the emission spectra of Eu ions produced and excited in an electron beam ion trap by observation with highly resolving spectrographs. General purpose atomic structure computations help us at disentangling the spectra and identifying the emission of specific charge state ions. At the same time, the wavelength data provide a tool to judge the quality of the computations. Finally, the present study concentrates on ions of the charge states q = 45+ to q = 49+ or P- to Ar-like ions of Eu.

74 ATOMIC AND MOLECULAR PHYSICS↗

SU-F-BRB-16: A Spreadsheet Based Automatic Trajectory GEnerator (SAGE): An Open Source Tool for Automatic Creation of TrueBeam Developer Mode Robotic Trajectories

Purpose: To automate creation and delivery of robotic linac trajectories with TrueBeam Developer Mode, an open source spreadsheet-based trajectory generation tool has been developed, tested and made freely available. The computing power inherent in a spreadsheet environment plus additional functions programmed into the tool insulate users from the underlying schema tedium and allow easy calculation, parameterization, graphical visualization, validation and finally automatic generation of Developer Mode XML scripts which are directly loadable on a TrueBeam linac. Methods: The robotic control system platform that allows total coordination of potentially all linac moving axes with beam (continuous, step-and-shoot, or combination thereof) becomes available in TrueBeam Developer Mode. Many complex trajectories are either geometric or can be described in analytical form, making the computational power, graphing and programmability available in a spreadsheet environment an easy and ideal vehicle for automatic trajectory generation. The spreadsheet environment allows also for parameterization of trajectories thus enabling the creation of entire families of trajectories using only a few variables. Standard spreadsheet functionality has been extended for powerful movie-like dynamic graphic visualization of the gantry, table, MLC, room, lasers, 3D observer placement and beam centerline all as a function of MU or time, for analysis of the motions before requiring actual linac time. Results: We used the tool to generate and deliver extended SAD “virtual isocenter” trajectories of various shapes such as parameterized circles and ellipses. We also demonstrated use of the tool in generating linac couch motions that simulate respiratory motion using analytical parameterized functions. Conclusion: The SAGE tool is a valuable resource to experiment with families of complex geometric trajectories for a TrueBeam Linac. It makes Developer Mode more accessible as a vehicle to quickly translate research ideas into machine readable scripts without programming knowledge. As an open source initiative, it also enables researcher collaboration on future developments. I am a full time employee at Varian Medical Systems, Palo Alto, California.

43 PARTICLE ACCELERATORS↗

Exascale Operating Systems and Runtime Software Report

Here U.S. Department of Energy (DOE) workshops and reports have identified four key exascale challenges: dramatically improving power efficiency; improving resilience in the presence of increasing faults; enabling efficient data movement across deepening memory hierarchies and new storage technologies; and managing dramatically increased parallelism, especially at the node level. Software solutions that address these challenges must also improve programmability, expanding the community of computational scientists who can use leadership-class platforms. To address these challenges, DOE must develop new techniques, novel designs, and advanced software architectures for next-generation exascale software infrastructure. In this report, we discuss challenges and approaches to exascale operating system and runtime (OS/R) software. The Exascale Operating Systems and Runtime (OS/R) Software Technical Council canvassed hardware architects, application programmers, parallel tool developers, DOE high-performance computing (HPC) facilities, and the vendors that sell and support integrated platforms. After considering the collective requirements of these constituents and examining the future research challenges and current software gaps, the council recommends that DOE invest in targeted advanced computer science research and in specific coordinating activities to enable the effective and successful development of anticipated exascale systems.

97 MATHEMATICS AND COMPUTING↗

Comparison of Electromagnetic Transient and Phasor Dynamic Simulations: Implications for Inverter Dominated Systems

The simulation of very high shares of inverter-based resources in power systems has begun to draw into question the validity of phasor domain tools in capturing relevant dynamics. Electromagnetic transient simulators can capture the dynamics of power electronics with substantially smaller time steps, but are computationally expensive. This work contrasts the results of phasor domain and electromagnetic transient tools for simulations on a validated model of the Maui power system operating at very high inverter-based resource shares with near zero voltage forming devices. The results show that the phasor domain tool predicts optimistic stability with fewer voltage forming elements on the network, and loses computational stability before the electromagnetic transient tool. As the electromagnet transient model is of the entire system, and system-wide discrepancies are observed, this case study of a physical power system highlights the potential need for system-wide detailed modeling during periods of very high shares of inverter-based resources and few voltage forming devices.

electromagnetic transient-domain↗

Cybersecurity Framework Tool and Training Game Help Utilities ID Cyber Attack Vulnerabilities

PNNL cybersecurity experts developed two novel cyber tools to help utilities and organizations that serve them combat malicious cyber attacks. The first is the Cybersecurity Framework Tool, or CFT. This patented tool provides a way for utilities and their associated vendors to identify, protect, detect, respond to, and recover from emerging cyber threats or vulnerabilities to critical infrastructure. CFT provides an easy-to-follow set of best practices, policies, and procedures to improve the cybersecurity postures of critical infrastructure. The second tool is the Cybersecurity Training Game Simulator, a dynamic “train the trainer” tool. The game provides interactive training scenarios based on major cyberattacks that happened in the U.S. during the past decade. Both innovations are available for commercialization. Contact Commercialization Manager Peter Christensen at peter.christensen@pnnl.gov to learn more.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Evaluating quantitative 3-D image analysis as a design tool for low enriched uranium fuel compacts for the transient reactor test facility: A preliminary study

In this study, 3-D image analysis when combined with a non-destructive examination technique such as X-ray computed tomography (CT) provides a highly quantitative tool for the investigation of a material’s structure. In this investigation 3-D image analysis and X-ray CT were combined to analyze the microstructure of a preliminary subsized fuel compact for the Transient Reactor Test Facility’s low enriched uranium conversion program to assess the feasibility of the combined techniques for use in the optimization of the fuel compact fabrication process. The quantitative image analysis focused on determining the size and spatial distribution of the surrogate fuel particles and the size, shape, and orientation of voids within the compact. Additionally, the maximum effect of microstructural features on heat transfer through the carbonaceous matrix of the preliminary compact was estimated. The surrogate fuel particles occupied 0.8% of the compact by volume with a log-normal distribution of particle sizes with a mean diameter of 39 μm and a standard deviation of 16 μm. Roughly 39% of the particles had a diameter greater than the specified maximum particle size of 44 μm suggesting that the particles agglomerate during fabrication. The local volume fraction of particles also varies significantly within the compact although uniformities appear to be evenly dispersed throughout the analysed volume. The voids produced during fabrication were on average plate-like in nature with their major axis oriented perpendicular to the compaction direction of the compact. Finally, the microstructure, mainly the large preferentially oriented voids, may cause a small degree of anisotropy in the thermal diffusivity within the compact. α∥/α⊥, the ratio of thermal diffusivities parallel to and perpendicular to the compaction direction are expected to be no less than 0.95 with an upper bound of 1.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Capacitance of Carbon Nanotube/Graphene Composite Electrodes with [BMIM + ][BF$_4^–$]/Acetonitrile: Fixed Voltage Molecular Dynamics Simulations

The capacitance of nanoporous carbon electrode materials is dictated by the physical interactions with electrolyte ions and molecules at the accessible interior electrode surface. While significant progress has been made in designing and synthesizing carbon materials with well-defined and relatively homogeneous nanoporosity, the majority of materials remain heterogeneous, and the resulting properties reflect an average over this distribution. In this regard, computer simulations can be a valuable tool to predict or validate structure/property relationships by systematically investigating well-defined, model electrode morphologies. In this work, we utilize fixed-voltage molecular dynamics simulations to predict structure/capacitance relationships for five different model morphologies of carbon nanotube/graphene (CNT/G) composite electrodes with 1-butyl-3-methylimidazolium tetrafluoroborate/acetonitrile electrolyte. The CNT/G electrode models are inspired by experimental “layer-by-layer” syntheses and strike a balance between realism and computational tractability. Comparison between different model electrode architectures elucidates important structure/property relationships. We find that CNT/graphene contact points serve as “hot spots” with significantly enhanced charge separation relative to the rest of the electrode. Furthermore, we demonstrate a specific nanoconfinement motif that provides substantial 3–4$\times$ enhancement of local capacitance, resulting in a ~40% increase of the total electrode differential capacitance. Because the accessible surface area of the model CNT/G electrodes is precisely determined, a comparison of per-area capacitance across systems is unambiguous. Our results thus complement a prior computational demonstration of capacitance enhancement in nanoconfinement while elucidating additional interaction motifs at CNT/G electrochemical interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Profiling the BLAST bioinformatics application for load balancing on high-performance computing clusters

Abstract Background The Basic Local Alignment Search Tool (BLAST) is a suite of commonly used algorithms for identifying matches between biological sequences. The user supplies a database file and query file of sequences for BLAST to find identical sequences between the two. The typical millions of database and query sequences make BLAST computationally challenging but also well suited for parallelization on high-performance computing clusters. The efficacy of parallelization depends on the data partitioning, where the optimal data partitioning relies on an accurate performance model. In previous studies, a BLAST job was sped up by 27 times by partitioning the database and query among thousands of processor nodes. However, the optimality of the partitioning method was not studied. Unlike BLAST performance models proposed in the literature that usually have problem size and hardware configuration as the only variables, the execution time of a BLAST job is a function of database size, query size, and hardware capability. In this work, the nucleotide BLAST application BLASTN was profiled using three methods: shell-level profiling with the Unix “time” command, code-level profiling with the built-in “profiler” module, and system-level profiling with the Unix “gprof” program. The runtimes were measured for six node types, using six different database files and 15 query files, on a heterogeneous HPC cluster with 500+ nodes. The empirical measurement data were fitted with quadratic functions to develop performance models that were used to guide the data parallelization for BLASTN jobs. Results Profiling results showed that BLASTN contains more than 34,500 different functions, but a single function, RunMTBySplitDB, takes 99.12% of the total runtime. Among its 53 child functions, five core functions were identified to make up 92.12% of the overall BLASTN runtime. Based on the performance models, static load balancing algorithms can be applied to the BLASTN input data to minimize the runtime of the longest job on an HPC cluster. Four test cases being run on homogeneous and heterogeneous clusters were tested. Experiment results showed that the runtime can be reduced by 81% on a homogeneous cluster and by 20% on a heterogeneous cluster by re-distributing the workload. Discussion Optimal data partitioning can improve BLASTN’s overall runtime 5.4-fold in comparison with dividing the database and query into the same number of fragments. The proposed methodology can be used in the other applications in the BLAST+ suite or any other application as long as source code is available.

59 BASIC BIOLOGICAL SCIENCES↗

Advanced simulation capability for environmental management, integrated tool-sets and simulator to enhance public communication - 15186

The U.S. Department of Energy (US DOE) Office of Environmental Management (EM), Office of Soil and Groundwater Remediation, is supporting multi-laboratory development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. ASCEM facilitates transparent, efficient and integrated approaches to modeling and site characterization, and provides robust and standardized assessments of performance and risk for EM cleanup and closure activities. Site subsurface simulation modeling and performance assessments are complex and involve sensitivity evaluations and uncertainty quantification to better understand the risks at a site. The ASCEM tool-set was designed in close collaboration with the sites and other potential end-users (both the public and regulators) to allow better communication and understanding of these complex modeling efforts. ASCEM's integrated tool-sets provide a user interface and tools for managing work-flows, including conceptual model development, management of data and metadata for model input, sensitivity analysis, model calibration and uncertainty analysis, model execution on diverse computational platforms, and processing of model output, including visualization. The hierarchical and modular design of ASCEM HPC simulator Amanzi easily lends itself to translating this conceptual model of a site into a numerical model that can easily be spatially and temporally discretized to run on the HPC simulator. Together this integrated work-flow allows for a seamless and integrated analysis tracking all provenance information and modeling uncertainties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solving differential‐algebraic equations in power system dynamic analysis with quantum computing

Abstract Power system dynamics are generally modeled by high dimensional non‐linear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system's DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system non‐linearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system's DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.

computational complexity↗

Particle-image Velocimetry Sensitivity through Automatic Differentiation

A commonly encountered difficulty in modern experimental fluid dynamics experiments is the need for full-flow visualization and measurement; traditional techniques such as hot-wire probes and laser Doppler velocimetry cannot provide such information without difficult scanning procedures. Particle-image velocimetry (PIV) is a measurement technique which can overcome this spatial limitation to provide real-time three-dimensional fluid velocity vectors for an entire plane within the flow, as opposed to a single point that is provided by other measurement techniques. To accomplish this, a PIV system seeds the fluid flow with tracer particles; these must have nearly the same density as that of the fluid and a high drag coefficient to ensure that they follow the fluid flow without deviation. A laser is sent through optics to expand its beam into a sheet which illuminates the plane of interest in the fluid. The particles reflect more light than the fluid, and their image is recorded using a high speed camera. Due to limitations in bandwidth, video cannot be taken fast enough to be useful, and instead pairs of images are captured with a known separation in time. The illuminated particles will move between the two images taken by the camera, and their relative motion can be used to compute the fluid velocity at that point. When a single camera is used, only two-dimensional velocity vectors can be computed, but with the addition of another camera this can be improved to full three-dimensional vectors. The flow's time evolution can be measured by taking series of image pairs and processing each pair to get the velocity field at the time between each image pair. Only the two-dimensional version will be considered in this work. To compute the velocity vectors of the flow, the images are broken up into interrogation regions, usually in a uniform grid. In the most basic PIV algorithm, corresponding regions in the image pairs are cross-correlated to compute the most likely displacement from one image to the next. This is used since the cross correlation will achieve a maximum value when the two interrogation regions line up the best. The location of the peak in the correlation map and scaling information for the optical setup is used to compute the particle displacement from one image to the next. This process is similar to holding two semi-transparent images and moving one until they match as well as possible. Sub-pixel displacements between images can be obtained by fitting a Gaussian function to the correlation peak. Knowing the displacement vector for each set of interrogation regions in the image pair, it is a simple matter to divide by the time gap between the two images to compute the fluid velocity at the point in time and space. Since there are many interrogation regions in each image pair, the velocity field for a sheet is sampled according to the arrangement of the interrogation regions. The sensitivity of the final computed vector to the input images is difficult to compute, and has led most considerations of uncertainty in the PIV field to apply Monte Carlo methods and correlations to quantify the systematic and random errors which result from application of various PIV algorithms. In this work, automatic differentiation (AD) has been used to trace the dependence of velocity vectors computed using the correlation-peak PIV algorithm back to the input values given to an artificial image generator. These initial results form the foundation for continued work in the application of AD to algorithms in PIV. They demonstrate that AD methods can be successfully applied to PIV algorithms without undue complexity. The derivatives of each individual vector with regard to the coefficients of the velocity field used to create the artificial images can be computed and the statistics of them considered collectively, or correlated between each other to quantify the effectiveness of a PIV algorithm. With the initial implementation complete, adding extra algorithms is relatively simple and considerable data can be generated for analysis. It is hoped that application of these methods can lead to improved PIV algorithms which demonstrate better sensitivity to small variations in particle displacement. While these methods can be used as an analysis tool for refinement of new algorithms, computation of actual resultant vector sensitivities to input images' individual pixels is the next logical step of this work. Such information will be analyzed with experimental data to produce a better understanding of how output vectors' uncertainty relates to the actual image pairs, and lead to automatic bad vector removal. (authors)

42 ENGINEERING↗

Protein Assembly by Design

Proteins are nature’s primary building blocks for the construction of sophisticated molecular machines and dynamic materials, ranging from protein complexes such as photosystem II and nitrogenase that drive biogeochemical cycles to cytoskeletal assemblies and muscle fibers for motion. Such natural systems have inspired extensive efforts in the rational design of artificial protein assemblies in the last two decades. As molecular building blocks, proteins are highly complex, in terms of both their three-dimensional structures and chemical compositions. To enable control over the self-assembly of such complex molecules, scientists have devised many creative strategies by combining tools and principles of experimental and computational biophysics, supramolecular chemistry, inorganic chemistry, materials science, and polymer chemistry, among others. Owing to these innovative strategies, what started as a purely structure-building exercise two decades ago has, in short order, led to artificial protein assemblies with unprecedented structures and functions and protein-based materials with unusual properties. Furthermore, our goal in this review is to give an overview of this exciting and highly interdisciplinary area of research, first outlining the design strategies and tools that have been devised for controlling protein self-assembly, then describing the diverse structures of artificial protein assemblies, and finally highlighting the emergent properties and functions of these assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗