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First-Principles Prediction of Structures and Properties in Crystals
The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.
Computational Statistics and Mathematical Modeling Methods in Intelligent Systems
This book presents real-world problems and exploratory research in computational statistics, mathematical modeling, artificial intelligence and software engineering in the context of the intelligent systems. This book constitutes the refereed proceedings of the 3rd Computational Methods in Systems and Software 2019 (CoMeSySo 2019), a groundbreaking online conference that provides an international forum for discussing the latest high-quality research results.
Predictions in Time Series Using Regression Models
This book will interest and assist people who are dealing with the problems of predictions of time series in higher education and research. It will greatly assist people who apply time series theory to practical problems in their work and also serve as a textbook for postgraduate students in statistics economics and related subjects.
Engineering Applications of Neural Networks
This book constitutes the refereed proceedings of the 18th International Conference on Engineering Applications of Neural Networks, EANN 2017, held in Athens, Greece, in August 2017. The 40 revised full papers and 5 revised short papers presented were carefully reviewed and selected from 83 submissions. The papers cover the topics of deep learning, convolutional neural networks, image processing, pattern recognition, recommendation systems, machine learning, and applications of Artificial Neural Networks (ANN) applications in engineering, 5G telecommunication networks, and audio signal processing. The volume also includes papers presented at the 6th Mining Humanistic Data Workshop (MHDW 2017) and the 2nd Workshop on 5G-Putting Intelligence to the Network Edge (5G-PINE).
Cybernetics Approaches in Intelligent Systems
This book discusses new approaches and methods in the cybernetics, algorithms and software engineering in the scope of the intelligent systems. It brings new approaches and methods to real-world problems and exploratory research that describes novel approaches in the cybernetics, algorithms and software engineering in the scope of the intelligent systems. This book constitutes the refereed proceedings of the Computational Methods in Systems and Software 2017, a conference that provided an international forum for the discussion of the latest high-quality research results in all areas related to computational methods, statistics, cybernetics and software engineering.
Computational Collective IntelligenceTechnologies and Applications
The two-volume set LNAI 6922 and LNAI 6923 constitutes the refereed proceedings of the Third International Conference on Computational Collective Intelligence, ICCCI 2011, held in Gdynia, Poland, in September 2011. The 112 papers in this two volume set presented together with 3 keynote speeches were carefully reviewed and selected from 300 submissions. The papers are organized in topical sections on knowledge management, machine learning and applications, autonomous and collective decision-making, collective computations and optimization, Web services and semantic Web, social networks and computational swarm intelligence and applications.
Intelligent Systems Applications in Software Engineering
This book presents real-world problems and exploratory research that describes novel approaches in software engineering, cybernetics and algorithms in the context of intelligent systems. It constitutes the refereed proceedings of the 3rd Computational Methods in Systems and Software 2019 (CoMeSySo 2019) conference, a groundbreaking online conference that provides an international forum for discussing the latest high-quality research results.
