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This volume contains the thoroughly refereed post-conference proceedings of the Second International Conference on Exascale Applications and Software, EASC 2014, held in Stockholm, Sweden, in April 2014. The 6 full papers presented together with 6 short papers were carefully reviewed and selected from 17 submissions. They are organized in two topical sections named: toward exascale scientific applications and development environment for exascale applications.
This book constitutes the refereed proceedings of the Second Workshop on Software Challenges to Exascale Computing, SCEC 2018, held in Delhi, India, in December 2018. The 10 papers presented in this volume were carefully reviewed and selected from 24 submissions and focus on scientific applications, performance analysis and optimization, science gateways and high-productivity tools and frameworks.
This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.
This book constitutes the thoroughly refereed proceedings of the 1st International Conference on Contemporary Risk Studies During COVID-19 Pandemic: Challenge and Opportunities (ICONICRS) 2022, held in Jakarta, Indonesia, in March – April 2022. The 56 full papers presented were carefully reviewed and selected from high number of submitted papers. The papers reflect the conference sessions as follows: Energy and Risk Assessment, Environmental Social and Governance, Risk Management and Good Corporate Governance, Contemporary Economy and Geopolitical Risk, Risk Communication, Cyber Security, and Digital Risk, Finance, Human Capital, Marketing, and Operation, Operational Risk (including Technology, Construction, and Engineering).
Multifunctional Polymeric Nanocomposites Based on Cellulosic Reinforcements introduces the innovative applications of polymeric materials based on nanocellulose, and covers extraction methods, functionalization approaches, and assembly methods to enable these applications. The book presents the state-of-the-art of this novel nano-filler and how it enables new applications in many different sectors, beyond existing products. With a focus on application of nano-cellulose based polymers with multifunctional activity, the book explains the methodology of nano-cellulose extraction and production and shows the potential performance benefits of these particular nanostructured polymers, for applications across different sectors, including food active packaging, energy-photovoltaics, biomedical, and filtration. The book describes how the different methodologies, functionalization, and organization at the nano-scale level could contribute to the design of required properties at macro level. The book studies the interactions between the main nano-filler with other active systems and how this interaction enables multi-functionality in the produced materials. The book is an indispensable resource for the growing number of scientists and engineers interested in the preparation and novel applications of nano-cellulose, and for industrial scientists active in formulation and fabrication of polymer products based on renewable resources. - Provides insight into nanostructure formation science, and processing of polymeric materials and their characterization - Offers a strong analysis of real industry needs for designing the materials - Provides a well-balanced structure, including a light introduction of basic knowledge on extraction methods, functionalization approaches, and assembling focused to applications - Describes how different methodologies, functionalization, and organization at the nano-scale level could contribute to the design of required properties at macro level
We are compounded entities, given life by a complex molecular machinery. When studying these molecules we have to make sense of a diverse set of dynamical nanostructures with wast and intricate patterns of interactions. Protein polymers is one of the major groups of building blocks of such nanostructures which fold up into more or less distinct three dimensional structures. Due to their shape, dynamics and chemical properties proteins are able to perform a plethora of specific functions essential to all known cellular lifeforms. The connection between protein sequence, translated into protein structure and in the continuation into protein function is well accepted but poorly understood. Malfunction in the process of protein folding is known to be implicated in natural aging, cancer and degenerative diseases such as Alzheimer's. Protein folds are described hierarchically by structural ontologies such as SCOP, CATH and Pfam all which has yet to succeed in deciphering the natural language of protein function. These paradigmatic views centered on protein structure fail to describe more mutable entities, such as intrinsically disordered proteins (IDPs) which lack a clear defined structure. As of 2012, about two thirds of cancer patients was predicted to survive past 5 years of diagnosis. Despite this, about a third do not survive and numerous of successfully treated patients suffer from secondary conditions due to chemotherapy, surgery and the like. In order to handle cancer more efficiently we have to better understand the underlying molecular mechanisms. Elusive to standard methods of investigation, IDPs have a central role in pathology; dysfunction in IDPs are key factors in cellular system failures such as cancer, as many IDPs are hub regulators for major cell functions. These IDPs carry short conserved functional boxes, that are not described by known ontologies, which suggests the existence of a smaller entity. In an investigation of a pair of such boxes of c-MYC, a plausible structural model of its interacting with Pin1 emerged, but such a model still leaves the observer with a puzzle of understanding the actual function of that interaction. If the protein is represented as a graph and modeled as the interaction patterns instead of as a structural entity, another picture emerges. As a graph, there is a parable from that of the boxes of IDPs, to that of sectors of allosterically connected residues and the theory of foldons and folding units. Such a description is also useful in deciphering the implications of specific mutations. In order to render a functional description feasible for both structured and disordered proteins, there is a need of a model separate from form and structure. Realized as protein primes, patterns of interaction, which has a specific function that can be defined as prime interactions and context. With function defined as interactions, it might be possible that the discussion of proteins and their mechanisms is thereby simplified to the point rendering protein structural determination merely supplementary to understanding protein function. Människan byggs upp av celler, de i sin tur består av än mindre beståndsdelar; livets molekyler. Dessa fungerar som mekaniska byggstenar, likt maskiner och robotar som sliter vid fabrikens band; envar utförandes en absolut nödvändig funktion för cellens, och hela kroppens, fortsatta överlevnad. De av livets molekyler som beskrivs centralt i den här avhandling är proteiner, vilka i sin tur består utav en lång kedja, med olika typer av länkar, som likt garn lindar upp sig i ett nystan av en (mer eller mindre...) bestämd struktur som avgör dess roll och funktion i cellen. Intrinsiellt oordnade proteiner (IDP) går emot denna enkla åskådning; de är proteiner som saknar struktur och beter sig mer likt spaghetti i vatten än en maskin. IDP är ändå funktionella och bär på centrala roller i cellens maskineri; exempel är oncoproteinet c-Myc som agerar "gaspedal" för cellen - fel i c-Myc's funktion leder till att cellerna löper amok, delar sig hejdlöst och vi får cancer. Man har upptäckt att c-Myc har en ombytlig struktur vi inte kan se; studier av punktvisa förändringar, mutationer, i kedjan av byggstenar hos c-Myc visar att många länkar har viktiga roller i funktionen. Detta ger oss bättre förståelse om cancer men samtidigt är laboratoriearbetet både komplicerat och dyrt; här kan evolutionen vägleda oss och avslöja hemligheterna snabbare. Molekylär evolution studeras genom att beräkna variation i proteinkedjan mellan besläktade arter som finns lagrade i databaser; detta visar snabbt, via nätverksanalys och grafteori, vilka delar av proteinet som är centrala och kopplade till varandra av nödvändighet för artens fortlevnad. På så vis hjälper evolutionen oss att förstå proteinfunktioner via modeller baserade på proteinernas interaktioner snarare än deras struktur. Samma modeller kan nyttjas för att förstå dynamiska förlopp och skillnader mellan normala och patologiska varianter av proteiner; mutationer kan uppstå i vår arvsmassa som kan leda till sjukdom. Genom analys av proteinernas kopplingsnätverk i grafmodellerna kan man bättre förutsäga vilka mutationer som är farligare än andra. Dessutom har det visat sig att en sådan representation kan ge bättre förståelse för den normala funktionen hos ett protein än vad en proteinstruktur kan. Här introduceras även konceptet proteinprimärer, vilket är en abstrakt representation av proteiner centrerad på deras interaktiva mönster, snarare än på partikulär form och struktur. Det är en förhoppning att en sådan representation skall förenkla diskussionen anbelangande proteinfunktion så till den grad att strukturbestämmelse av proteiner, som är en mycket kostsam och tidskrävande process, till viss mån kan anses vara sekundär i betydelse jämfört med funktionellt modellerande baserat på evolutionära data extraherade ur våra sekvensdatabaser.
Programming has become a significant part of connecting theoretical development and scientific application computation. Fluid dynamics provide an important asset in experimentation and theoretical analysis. Analysis and Applications of Lattice Boltzmann Simulations provides emerging research on the efficient and standard implementations of simulation methods on current and upcoming parallel architectures. While highlighting topics such as hardware accelerators, numerical analysis, and sparse geometries, this publication explores the techniques of specific simulators as well as the multiple extensions and various uses. This book is a vital resource for engineers, professionals, researchers, academics, and students seeking current research on computational fluid dynamics, high-performance computing, and numerical and flow simulations.
This book constitutes the refereed proceedings of the 37th International Conference on High Performance Computing, ISC High Performance 2022, held in Hamburg, Germany, during May 29 – June 2, 2022. The 18 full papers presented were carefully reviewed and selected from 53 submissions. The papers are categorized into the following topical sub-headings: Architecture, Networks, and Storage; Machine Learning, AI, Emerging Technologies; HPC Algorithms and Applications; Performance Modeling, Evaluation and Analysis; and Programming Environments and Systems Software.
This book constitutes the refereed proceedings of the 31st International Conference, ISC High Performance 2016 [formerly known as the International Supercomputing Conference] held in Frankfurt, Germany, in June 2016. The 25 revised full papers presented in this book were carefully reviewed and selected from 60 submissions. The papers cover the following topics: Autotuning and Thread Mapping; Data Locality and Decomposition; Scalable Applications; Machine Learning; Datacenters andCloud; Communication Runtime; Intel Xeon Phi; Manycore Architectures; Extreme-scale Computations; and Resilience.
This book presents the proceedings of the 12th International Parallel Tools Workshop, held in Stuttgart, Germany, during September 17-18, 2018, and of the 13th International Parallel Tools Workshop, held in Dresden, Germany, during September 2-3, 2019. The workshops are a forum to discuss the latest advances in parallel tools for high-performance computing. High-performance computing plays an increasingly important role for numerical simulation and modeling in academic and industrial research. At the same time, using large-scale parallel systems efficiently is becoming more difficult. A number of tools addressing parallel program development and analysis has emerged from the high-performance computing community over the last decade, and what may have started as a collection of a small helper scripts has now matured into production-grade frameworks. Powerful user interfaces and an extensive body of documentation together create a user-friendly environment for parallel tools.