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31 Engel, Megan Clare DNA Systems Under Internal and External Forcing I08981 2019 eBook  
32 Pismen, Len The Swings of Science I08968 2018 eBook  
33 Adamatzky, Andrew Unconventional Computing I08946 2018 eBook  
34 Deych, Lev I Advanced Undergraduate Quantum Mechanics I08848 2018 eBook  
35 Larson, Jonas Conical Intersections in Physics I08795 2020 eBook  
36 Kasai, Hideaki Hydrogen and Hydrogen-Containing Molecules on Metal Surfaces I08725 2020 eBook  
37 Vainshtein, Boris K Modern Crystallography 2 I11538 2000 eBook  
38 Marchildon, Louis Quantum Mechanics I11455 2002 eBook  
39 Emmerich, Heike The Diffuse Interface Approach in Materials Science I11360 2003 eBook  
40 Morawiec, Adam Orientations and Rotations I11250 2004 eBook  
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31.    
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TitleDNA Systems Under Internal and External Forcing : An Exploration Using Coarse-Grained Modelling
Author(s)Engel, Megan Clare
PublicationCham, Springer International Publishing, 2019.
DescriptionXV, 144 p. 70 illus., 67 illus. in color : online resource
Abstract NoteThe interactions of DNA with force are central to manifold fields of inquiry, including the de novo design of DNA nanostructures, the use of DNA to probe the principles of biological self-assembly, and the operation of cellular nanomachines. This work presents a survey of three distinct ways coarse-grained simulations can help characterize these interactions. A non-equilibrium energy landscape reconstruction technique is validated for use with the oxDNA model and a practical framework to guide future applications is established. A novel method for calculating entropic forces in DNA molecules is outlined and contrasted with existing, flawed approaches. Finally, a joint experimental-simulation study of large DNA origami nanostructures under force sheds light on design principles and, through vivid illustrations, their unfolding process. This text provides an accessible and exciting launching point for any student interested in the computational study of DNA mechanics and force interactions
ISBN,Price9783030254131
Keyword(s)1. Atomic structure???? 2. Atomic/Molecular Structure and Spectra 3. BIOMATHEMATICS 4. Chemistry, Physical and theoretical 5. EBOOK 6. EBOOK - SPRINGER 7. Mathematical and Computational Biology 8. Molecular structure?? 9. Nanoscale science 10. Nanoscale Science and Technology 11. NANOSCIENCE 12. Nanostructures 13. Theoretical and Computational Chemistry
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32.     
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TitleThe Swings of Science : From Complexity to Simplicity and Back
Author(s)Pismen, Len
PublicationCham, Springer International Publishing, 2018.
DescriptionVIII, 190 p. 108 illus., 83 illus. in color : online resource
Abstract NoteThis book is a personal account of some aspects of the emergence of modern science, mostly from the viewpoint of those branches of physics which provided the much needed paradigm shift of "more is different" that heralded the advent of complexity science as an antidote to the purely reductionist approach in fundamental physics. It is also about the humans that have helped to shape these developments, including personal reminiscences and the realization that the so-called exact sciences are inevitably also a social endeavour with all its facets. Served by the razor-sharp wit of the author, this erudite ramble is meant to be neither comprehensive nor systematic, but its generous insights will give the inquisitive academically trained mind a better understanding of what science, and physics in particular, could or should be about
ISBN,Price9783319997773
Keyword(s)1. Chemistry, Physical and theoretical 2. COMPLEX SYSTEMS 3. COMPLEXITY 4. COMPUTATIONAL COMPLEXITY 5. DYNAMICAL SYSTEMS 6. EBOOK 7. EBOOK - SPRINGER 8. History and Philosophical Foundations of Physics 9. PHYSICS 10. Popular Science in Physics 11. STATISTICAL PHYSICS 12. Theoretical and Computational Chemistry
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33.     
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TitleUnconventional Computing : A Volume in the Encyclopedia of Complexity and Systems Science, Second Edition
Author(s)Adamatzky, Andrew
PublicationNew York, NY, Springer US, 2018.
Description363 illus., 112 illus. in color. eReference : online resource
Abstract NoteThis volume of the Encyclopedia of Complexity and Systems Science, Second Edition, is a unique collection of concise overviews of state-of-art, theoretical and experimental findings, prepared by the world leaders in unconventional computing. Topics covered include bacterial computing, artificial chemistry, amorphous computing, computing with Solitons, evolution in materio, immune computing, mechanical computing, molecular automata, membrane computing, bio-inspired metaheuristics, reversible computing, sound and music computing, enzyme-based computing, structural machines, reservoir computing, infinity computing, biomolecular data structures, slime mold computing, nanocomputers, analog computers, DNA computing, novel hardware, thermodynamics of computation, and quantum and optical computing. Topics added to the second edition include: social algorithms, unconventional computational problems, enzyme-based computing, inductive Turing machines, reservoir computing, Grossone Infinity computing, slime mould computing, biomolecular data structures, parallelization of bio-inspired unconventional computing, and photonic computing. Unconventional computing is a cross-breed of computer science, physics, mathematics, chemistry, electronic engineering, biology, materials science and nanotechnology. The aims are to uncover and exploit principles and mechanisms of information processing in, and functional properties of, physical, chemical and living systems, with the goal to develop efficient algorithms, design optimal architectures and manufacture working prototypes of future and emergent computing devices
ISBN,Price9781493968831
Keyword(s)1. ARTIFICIAL INTELLIGENCE 2. BIOINFORMATICS 3. Chemistry, Physical and theoretical 4. COMPLEX SYSTEMS 5. Computational Biology/Bioinformatics 6. Computational Intelligence 7. DYNAMICAL SYSTEMS 8. EBOOK 9. EBOOK - SPRINGER 10. QUANTUM COMPUTERS 11. Quantum computing 12. STATISTICAL PHYSICS 13. Theoretical and Computational Chemistry
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34.     
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TitleAdvanced Undergraduate Quantum Mechanics : Methods and Applications
Author(s)Deych, Lev I
PublicationCham, Springer International Publishing, 2018.
DescriptionXIX, 610 p. 50 illus., 26 illus. in color : online resource
Abstract NoteThis introduction to quantum mechanics is intended for undergraduate students of physics, chemistry, and engineering with some previous exposure to quantum ideas. Following in Heisenberg???s and Dirac???s footsteps, this book is centered on the concept of the quantum state as an embodiment of all experimentally available information about a system, and its representation as a vector in an abstract Hilbert space. This conceptual framework and formalism are introduced immediately, and developed throughout the first four chapters, while the standard Schr??dinger equation does not appear until Chapter 5. The book grew out of lecture notes developed by the author over fifteen years of teaching at the undergraduate level. In response to numerous requests by students, material is presented with an unprecedented level of detail in both derivation of technical results and discussion of their physical significance.?? The book is written for students to enjoy reading it, rather than to use only as a source of formulas and examples. The colloquial and personal writing style makes it easier for readers to connect with the material. Additionally, readers will find short, relatable snippets about the ???founding fathers??? of quantum theory, their difficult historical circumstances, personal failings and triumphs, and often tragic fate. This textbook, complete with extensive original end-of-chapter exercises, is recommended for use in one- or two-semester courses for upper level undergraduate and beginning graduate students in physics, chemistry, or engineering
ISBN,Price9783319715506
Keyword(s)1. APPLIED MATHEMATICS 2. Chemistry, Physical and theoretical 3. EBOOK 4. EBOOK - SPRINGER 5. ENGINEERING MATHEMATICS 6. Mathematical and Computational Engineering 7. Mathematical Applications in the Physical Sciences 8. Mathematical Methods in Physics 9. MATHEMATICAL PHYSICS 10. PHYSICS 11. QUANTUM OPTICS 12. QUANTUM PHYSICS 13. Theoretical and Computational Chemistry
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35.     
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TitleConical Intersections in Physics : An Introduction to Synthetic Gauge Theories
Author(s)Larson, Jonas;Erik Sjoqvist;Patrik Ohberg
PublicationCham, Springer International Publishing, 2020.
DescriptionXIII, 160 p. 57 illus., 34 illus. in color : online resource
Abstract NoteThis concise book introduces and discusses the basic theory of conical intersections with applications in atomic, molecular and condensed matter physics. Conical intersections are linked to the energy of quantum systems. They can occur in any physical system characterized by both slow and fast degrees of freedom - such as e.g. the fast electrons and slow nuclei of a vibrating and rotating molecule - and are important when studying the evolution of quantum systems controlled by classical parameters. Furthermore, they play a relevant role for understanding the topological properties of condensed matter systems. Conical intersections are associated with many interesting features, such as a breakdown of the Born-Oppenheimer approximation and the appearance of nontrivial artificial gauge structures, similar to the Aharonov-Bohm effect. Some applications presented in this book include - Molecular Systems: some molecules in nonlinear nuclear configurations undergo Jahn-Teller distortions under which the molecule lower their symmetry if the electronic states belong to a degenerate irreducible representation of the molecular point group. - Solid State Physics: different types of Berry phases associated with conical intersections can be used to detect topologically nontrivial states of matter, such as topological insulators, Weyl semi-metals, as well as Majorana fermions in superconductors. - Cold Atoms: the motion of cold atoms in slowly varying inhomogeneous laser fields is governed by artificial gauge fields that arise when averaging over the fast internal degrees of freedom of the atoms. These gauge fields can be Abelian or non-Abelian, which opens up the possibility to create analogs to various relativistic effects at low speed
ISBN,Price9783030348823
Keyword(s)1. Chemistry, Physical and theoretical 2. EBOOK 3. EBOOK - SPRINGER 4. QUANTUM OPTICS 5. QUANTUM PHYSICS 6. SOLID STATE PHYSICS 7. Theoretical and Computational Chemistry
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36.     
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TitleHydrogen and Hydrogen-Containing Molecules on Metal Surfaces : Towards the Realization of Sustainable Hydrogen Economy
Author(s)Kasai, Hideaki;Padama, Allan Abraham B;Chantaramolee, Bhume;Arevalo, Ryan L
PublicationSingapore, Springer Singapore, 2020.
DescriptionXVI, 151 p. 98 illus., 53 illus. in color : online resource
Abstract NoteThis book is dedicated to recent advancements in theoretical and computational studies on the interactions of hydrogen and hydrogenated molecules with metal surfaces. These studies are driven by the development of high-performance computers, new experimental findings, and the extensive work of technological applications toward the realization of sustainable hydrogen economy. Understanding of the elementary processes of the physical and chemical reactions on the atomic scale is important in pursuing materials with high chemical reactivity and catalytic activity as well as high stability and durability. From this point of view, the book focuses on the behavior of hydrogen and hydrogenated molecules on flat, stepped, and reconstructed metal surfaces. It also tackles quantum mechanical properties of hydrogen and related adsorbates such as the molecular orbital angular momentum (spin) and diffusion along the minimum potential energy landscape on metal surfaces. All of these have been found to profoundly influence the outcomes of (1) catalytic reactions that involve hydrogen; (2) hydrogen storage in metals; and (3) hydrogen purification membranes. Lastly, it surveys the current status of the technology, outlook, and challenges for the long-desired sustainable hydrogen economy in relation to the topics covered in the book.
ISBN,Price9789811569944
Keyword(s)1. Chemistry, Physical and theoretical 2. EBOOK 3. EBOOK - SPRINGER 4. Energy Materials 5. FORCE AND ENERGY 6. Interfaces (Physical sciences) 7. MATERIALS SCIENCE 8. Materials???Surfaces 9. Surface and Interface Science, Thin Films 10. Surfaces (Physics) 11. Surfaces and Interfaces, Thin Films 12. Theoretical and Computational Chemistry 13. THIN FILMS
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37.     
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TitleModern Crystallography 2 : Structure of Crystals
Author(s)Vainshtein, Boris K;Fridkin, Vladimir M;Indenbom, Vladimir L
PublicationBerlin, Heidelberg, Springer Berlin Heidelberg, 2000.
DescriptionXX, 521 p : online resource
Abstract NoteStructure of Crystals describes the ideal and real atomic structure of crystals as well as the electronic structures. The fundamentals of chemical bonding between atoms are given, and the geometric representations in the theory of crystal structure and crystal chemistry, as well as the lattice energy, are considered. The important classes of crystal structures in inorganic compounds as well as the structures of polymers, liquid crystals, biological crystals, and macromolecules are treated. This edition is complemented with recent data on many types of crystal structures - e.g., the structure of fullerenes, high-temperature superconductors, minerals, and liquid crystals
ISBN,Price9783642572548
Keyword(s)1. Atomic, Molecular, Optical and Plasma Physics 2. ATOMS 3. Biological and Medical Physics, Biophysics 4. BIOLOGICAL PHYSICS 5. BIOPHYSICS 6. Chemistry, Physical and theoretical 7. CRYSTALLOGRAPHY 8. Crystallography and Scattering Methods 9. EBOOK 10. EBOOK - SPRINGER 11. ENGINEERING 12. Engineering, general 13. MINERALOGY 14. PHYSICS 15. Theoretical and Computational Chemistry
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38.     
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TitleQuantum Mechanics : From Basic Principles to Numerical Methods and Applications
Author(s)Marchildon, Louis
PublicationBerlin, Heidelberg, Springer Berlin Heidelberg, 2002.
DescriptionXVI, 560 p : online resource
Abstract NoteThis advanced text develops first the underlying concepts of quantum mechanics, thus starting with state spaces of finite dimension followed by the representation of coordinates with their principal formal elements, and their applications such as the harmonic oscillator, magnetic momentum, the hydrogen atom, stationary perturbations etc. This fresh and original text on quantum mechanics focuses on: the development of numerical methods for obtaining specific results; the presentation of group theory and the systematic use of operators; the introduction of the functional integral and its applications in approximation; the discussion of distant correlations and experimental measurements. Numerous exercises with hints and solutions, examples and applications, and a guide to key references help the student to work with the text
ISBN,Price9783662047507
Keyword(s)1. Atomic structure???? 2. Atomic/Molecular Structure and Spectra 3. Chemistry, Physical and theoretical 4. EBOOK 5. EBOOK - SPRINGER 6. Elementary particles (Physics) 7. Elementary Particles, Quantum Field Theory 8. Molecular structure?? 9. QUANTUM FIELD THEORY 10. QUANTUM PHYSICS 11. Theoretical and Computational Chemistry
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39.     
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TitleThe Diffuse Interface Approach in Materials Science : Thermodynamic Concepts and Applications of Phase-Field Models
Author(s)Emmerich, Heike
PublicationBerlin, Heidelberg, Springer Berlin Heidelberg, 2003.
DescriptionVIII, 180 p : online resource
ISBN,Price9783540364092
Keyword(s)1. Characterization and Evaluation of Materials 2. Chemistry, Physical and theoretical 3. Computational Science and Engineering 4. Computer mathematics 5. CONDENSED MATTER 6. CONDENSED MATTER PHYSICS 7. EBOOK 8. EBOOK - SPRINGER 9. MATERIALS SCIENCE 10. Theoretical and Computational Chemistry 11. THERMODYNAMICS
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40.    
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TitleOrientations and Rotations : Computations in Crystallographic Textures
Author(s)Morawiec, Adam
PublicationBerlin, Heidelberg, Springer Berlin Heidelberg, 2004.
DescriptionX, 200 p : online resource
Abstract NoteThe book is about mathematical and computational foundations of texture analysis. Numerical techniques are indispensable in texture analysis, so the book is primarily addressed to researchers and students using these techniques in practice. Orientations and Rotations is very different from other books on textures in its content and focal point. Major part of the book is devoted to orientations and rotations in general. Opening chapters contain an extensive and thorough introduction to rotations in three dimensions (including parameterizations and geometry of the rotation space). Further chapters are also general but they will be of interest for readers dealing with orientations of symmetric objects. This subject is essential for crystallographic textures since most crystal structures are symmetric. The final chapters concern more practical aspects of textures (such as the determination of orientations from diffraction patterns and the calculation of effective elastic properties of polycrystals). The book will be of interest for scientists working on plasticity, grain boundaries, recrystallisation, grain growth, and numerous other issues in which textures must be taken into account. Because of the extensive parts on rotations in general, the book can be valuable for everyone dealing with rotations
ISBN,Price9783662091562
Keyword(s)1. Characterization and Evaluation of Materials 2. Chemistry, Physical and theoretical 3. CRYSTALLOGRAPHY 4. Crystallography and Scattering Methods 5. EBOOK 6. EBOOK - SPRINGER 7. GEOMETRY 8. MATERIALS SCIENCE 9. MINERALOGY 10. Theoretical and Computational Chemistry
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I11250     On Shelf    

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