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Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing.
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The Handbook of Materials Modeling, 2nd edition is a six-volume major reference serving a steadily growing community at the intersection of two mainstreams of global research: computational science and materials science and technology.
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This advanced textbook on theoretical chemistry includes all the fundamental concepts and theoretical approaches to be used when modelling a chemical system (i.e., a molecular system).
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This book highlights the environmental applications of plant-mediated carbon quantum dots, i.e., detection of heavy metals, sensing of toxic organic compounds, degradation of dyes and other toxic compounds, antioxidant activity, antimicrobial activity, detection of drugs, etc.
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The book builds on an analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applications to systems at the cutting-edge of research e.g. environmental and energy applications, will be used.
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Computational Quantum Chemistry is an extremely useful tool for teaching and research alike. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods.
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An essential resource for those interested in the theory and applications of quantum information. This book demystifies quantum resource theories, from entanglement to... Læs mere