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Author | Title | Accn# | Year | Item Type | Claims |
| 31 |
Andreoni, Wanda |
Handbook of Materials Modeling |
I09104 |
2020 |
eBook |
|
| 32 |
Kamberaj, Hiqmet |
Molecular Dynamics Simulations in Statistical Physics: Theory and Applications |
I09009 |
2020 |
eBook |
|
| 33 |
Engel, Megan Clare |
DNA Systems Under Internal and External Forcing |
I08981 |
2019 |
eBook |
|
| 34 |
Pismen, Len |
The Swings of Science |
I08968 |
2018 |
eBook |
|
| 35 |
Adamatzky, Andrew |
Unconventional Computing |
I08946 |
2018 |
eBook |
|
| 36 |
Deych, Lev I |
Advanced Undergraduate Quantum Mechanics |
I08848 |
2018 |
eBook |
|
| 37 |
Larson, Jonas |
Conical Intersections in Physics |
I08795 |
2020 |
eBook |
|
| 38 |
Kasai, Hideaki |
Hydrogen and Hydrogen-Containing Molecules on Metal Surfaces |
I08725 |
2020 |
eBook |
|
| 39 |
Vainshtein, Boris K |
Modern Crystallography 2 |
I11538 |
2000 |
eBook |
|
| 40 |
Marchildon, Louis |
Quantum Mechanics |
I11455 |
2002 |
eBook |
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31.
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| Title | Handbook of Materials Modeling : Methods: Theory and Modeling |
| Author(s) | Andreoni, Wanda;Yip, Sidney |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | 470 illus., 403 illus. in color. eReference : online resource |
| Abstract Note | 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. This extensively expanded new edition reflects the significant developments in all aspects of computational materials research over the past decade, featuring progress in simulations at multiple scales and increasingly more realistic materials models. Thematically separated into two mutually dependent sets ??? ???Methods: Theory and Modeling (MTM)??? and ???Applications: Current and Emerging Materials (ACE)??? ??? the handbook runs the entire gamut from theory and methods to simulations and applications. Readers benefit from its in-depth coverage of a broad methodological spectrum extending from advanced atomistic simulations of rare events to data-driven artificial intelligence strategies for materials informatics in the set MTM, as well as forefront emphasis on materials of far-ranging societal importance such as photovoltaics and energy-relevant oxides, and cutting-edge applications to materials for spintronic devices, graphene, cement, and glasses in the set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling???s standing as an enduring source of learning and inspiration for a global community of computational materials scientists. |
| ISBN,Price | 9783319446776 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. CONDENSED MATTER
3. CONDENSED MATTER PHYSICS
4. EBOOK
5. EBOOK - SPRINGER
6. MECHANICS
7. Mechanics, Applied
8. NANOTECHNOLOGY
9. Numerical and Computational Physics, Simulation
10. PHYSICS
11. Solid Mechanics
12. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I09104 |
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On Shelf |
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32.
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| Title | Molecular Dynamics Simulations in Statistical Physics: Theory and Applications |
| Author(s) | Kamberaj, Hiqmet |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | XV, 463 p. 65 illus., 21 illus. in color : online resource |
| Abstract Note | This book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems. The numerical methods are introduced in the form of computer algorithms and can be implemented in computers using any desired computer programming language, such as Fortran 90, C/C++, and others. The book also explains how some of these numerical methods and their algorithms can be implemented in the existing computer programming software of macromolecular systems, such as the CHARMM program. In addition, it examines a number of advanced concepts of computer simulation techniques used in statistical physics as well as biological and physical systems. Discussing the molecular dynamics approach in detail to enhance readers understanding of the use of this method in statistical physics problems, it also describes the equations of motion in various statistical ensembles to mimic real-world experimental conditions. Intended for graduate students and research scientists working in the field of theoretical and computational biophysics, physics and chemistry, the book can also be used by postgraduate students of other disciplines, such as applied mathematics, computer sciences, and bioinformatics. Further, offering insights into fundamental theory, it as a valuable resource for expert practitioners and programmers and those new to the field. |
| ISBN,Price | 9783030357023 |
| Keyword(s) | 1. Atomic structure????
2. Atomic/Molecular Structure and Spectra
3. BIOINFORMATICS
4. Characterization and Evaluation of Materials
5. Chemistry, Physical and theoretical
6. Computational Biology/Bioinformatics
7. EBOOK
8. EBOOK - SPRINGER
9. MATERIALS SCIENCE
10. Molecular structure??
11. Numerical and Computational Physics, Simulation
12. PHYSICAL CHEMISTRY
13. PHYSICS
14. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I09009 |
|
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On Shelf |
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33.
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| Title | DNA Systems Under Internal and External Forcing : An Exploration Using Coarse-Grained Modelling |
| Author(s) | Engel, Megan Clare |
| Publication | Cham, Springer International Publishing, 2019. |
| Description | XV, 144 p. 70 illus., 67 illus. in color : online resource |
| Abstract Note | The 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,Price | 9783030254131 |
| 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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08981 |
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On Shelf |
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34.
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| Title | The Swings of Science : From Complexity to Simplicity and Back |
| Author(s) | Pismen, Len |
| Publication | Cham, Springer International Publishing, 2018. |
| Description | VIII, 190 p. 108 illus., 83 illus. in color : online resource |
| Abstract Note | This 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,Price | 9783319997773 |
| 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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08968 |
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On Shelf |
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35.
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| Title | Unconventional Computing : A Volume in the Encyclopedia of Complexity and Systems Science, Second Edition |
| Author(s) | Adamatzky, Andrew |
| Publication | New York, NY, Springer US, 2018. |
| Description | 363 illus., 112 illus. in color. eReference : online resource |
| Abstract Note | This 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,Price | 9781493968831 |
| 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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08946 |
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On Shelf |
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36.
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| Title | Advanced Undergraduate Quantum Mechanics : Methods and Applications |
| Author(s) | Deych, Lev I |
| Publication | Cham, Springer International Publishing, 2018. |
| Description | XIX, 610 p. 50 illus., 26 illus. in color : online resource |
| Abstract Note | This 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,Price | 9783319715506 |
| 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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08848 |
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On Shelf |
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37.
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| Title | Conical Intersections in Physics : An Introduction to Synthetic Gauge Theories |
| Author(s) | Larson, Jonas;Erik Sjoqvist;Patrik Ohberg |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | XIII, 160 p. 57 illus., 34 illus. in color : online resource |
| Abstract Note | This 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,Price | 9783030348823 |
| 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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08795 |
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On Shelf |
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38.
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| Title | Hydrogen 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 |
| Publication | Singapore, Springer Singapore, 2020. |
| Description | XVI, 151 p. 98 illus., 53 illus. in color : online resource |
| Abstract Note | This 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,Price | 9789811569944 |
| 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
|
| Item Type | eBook |
Multi-Media Links
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| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08725 |
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On Shelf |
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39.
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| Title | Modern Crystallography 2 : Structure of Crystals |
| Author(s) | Vainshtein, Boris K;Fridkin, Vladimir M;Indenbom, Vladimir L |
| Publication | Berlin, Heidelberg, Springer Berlin Heidelberg, 2000. |
| Description | XX, 521 p : online resource |
| Abstract Note | Structure 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,Price | 9783642572548 |
| 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
|
| Item Type | eBook |
Multi-Media Links
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| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I11538 |
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On Shelf |
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40.
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| Title | Quantum Mechanics : From Basic Principles to Numerical Methods and Applications |
| Author(s) | Marchildon, Louis |
| Publication | Berlin, Heidelberg, Springer Berlin Heidelberg, 2002. |
| Description | XVI, 560 p : online resource |
| Abstract Note | This 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,Price | 9783662047507 |
| 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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I11455 |
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On Shelf |
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