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Molecular Dynamics and Machine Learning in Drug Discovery
Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.
Multiscale Materials Modeling for Nanomechanics
This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case st...
Artificial Intelligence Research and Development
Artificial intelligence has become an integral part of all our lives. Development is rapid in this exciting and far-reaching field, and keeping up to date with the latest research and innovation is crucial to all those working with the technology. This book presents the proceedings of the 24th edition of CCIA, the International Conference of the Catalan Association for Artificial Intelligence, held in Sitges, Spain, from 19 – 21 October 2022. This annual event serves as a meeting point not only for researchers in AI from the Catalan speaking territories (southern France, Catalonia, Valencia, the Balearic Islands and Alghero in Italy) but for researchers from around the world. The programme...
New Frontiers in Multiscale Modelling of Advanced Materials
Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system siz...
Molecular Networking
The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented. Key features: Draws on a data analytics approach of molecular systems Covers hot topics such as artificial intelligence and machine learning of molecular trends Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society Authors have a well-established track record and reputation in the field
Handbook of Materials Modeling
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by a...
Streaming Video
An international team of experts explores how streaming services are disrupting traditional storytelling. The rise of streaming has dramatically transformed how audiences consume media. Over the last decade, subscription video-on-demand (SVOD) services, including Netflix, Prime Video, and Disney+, have begun commissioning and financing their own original movies and TV shows, changing the way and the rate at which content is produced across the globe, from Mexico City to Mumbai. Streaming Video maps this international production boom and what it means for producers, audiences, and storytellers. Through eighteen richly textured case studies, ranging from original Korean dramas on Netflix to Bl...
Wisden India Almanack 2018
Wisden India Almanack, now in it's sixth edition pays homage to India's women cricketers, who over the past couple of years have been among the most talked-about, the most keenly followed and the most vociferously encouraged in the country. Starting with Menon and including Karunya Keshav, Sharda Ugra, Lawrence Booth, Aakash Chopra, Amrit Mathur, Simon Barnes, Ian Chappell, Shehan Karunatilaka, Bhagwat Chandrasekhar, Erapalli Prasanna, Samanth Subramanian and many more, the discerning reader has plenty to read and savour over 800 pages.
Algebraic Coding Theory (Revised Edition)
This is the revised edition of Berlekamp's famous book, 'Algebraic Coding Theory', originally published in 1968, wherein he introduced several algorithms which have subsequently dominated engineering practice in this field. One of these is an algorithm for decoding Reed-Solomon and Bose-Chaudhuri-Hocquenghem codes that subsequently became known as the Berlekamp-Massey Algorithm. Another is the Berlekamp algorithm for factoring polynomials over finite fields, whose later extensions and embellishments became widely used in symbolic manipulation systems. Other novel algorithms improved the basic methods for doing various arithmetic operations in finite fields of characteristic two. Other major research contributions in this book included a new class of Lee metric codes, and precise asymptotic results on the number of information symbols in long binary BCH codes.Selected chapters of the book became a standard graduate textbook.Both practicing engineers and scholars will find this book to be of great value.
