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Author | Title | Accn# | Year | Item Type | Claims |
| 11 |
Sch??tt, Kristof T |
Machine Learning Meets Quantum Physics |
I09716 |
2020 |
eBook |
|
| 12 |
Shadbolt, Peter |
Complexity and Control in Quantum Photonics |
I09644 |
2016 |
eBook |
|
| 13 |
Smirnov, Boris M |
Global Atmospheric Phenomena Involving Water |
I09608 |
2020 |
eBook |
|
| 14 |
Kumar, Amit |
Novel Coronavirus 2019 |
I09596 |
2020 |
eBook |
|
| 15 |
Bercioux, Dario |
Topological Matter |
I09556 |
2018 |
eBook |
|
| 16 |
Liu, Lai Chung |
Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science |
I09523 |
2020 |
eBook |
|
| 17 |
Civitarese, Osvaldo |
Methods in Statistical Mechanics |
I09517 |
2020 |
eBook |
|
| 18 |
Battimelli, Giovanni |
Computer Meets Theoretical Physics |
I09506 |
2020 |
eBook |
|
| 19 |
Solov???yov, Ilia A |
Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer |
I09337 |
2017 |
eBook |
|
| 20 |
Andreoni, Wanda |
Handbook of Materials Modeling |
I09207 |
2020 |
eBook |
|
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11.
  |
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| Title | Machine Learning Meets Quantum Physics |
| Author(s) | Sch??tt, Kristof T;Chmiela, Stefan;von Lilienfeld, O. Anatole;Tkatchenko, Alexandre;Tsuda, Koji;M??ller, Klaus-Robert |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | XVI, 467 p. 137 illus., 125 illus. in color : online resource |
| Abstract Note | Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context. |
| ISBN,Price | 9783030402457 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. EBOOK
3. EBOOK - SPRINGER
4. MACHINE LEARNING
5. Numerical and Computational Physics, Simulation
6. PHYSICS
7. QUANTUM PHYSICS
8. 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 |
| I09716 |
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On Shelf |
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12.
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| Title | Complexity and Control in Quantum Photonics |
| Author(s) | Shadbolt, Peter |
| Publication | Cham, Springer International Publishing, 2016. |
| Description | XVIII, 208 p. 55 illus., 2 illus. in color : online resource |
| Abstract Note | This work explores the scope and flexibility afforded by integrated quantum??photonics, both in terms of practical problem-solving, and for the pursuit of??fundamental science. The author demonstrates and fully characterizes a two-qubit quantum photonic chip, capable of arbitrary two-qubit state preparation. Making use of the unprecedented degree of reconfigurability afforded by this device, a novel variation on Wheeler???s delayed choice experiment is implemented, and a new technique to obtain nonlocal statistics without a shared reference frame is tested. Also presented is a new algorithm for quantum chemistry, simulating the helium hydride ion. Finally, multiphoton quantum interference in a large Hilbert space is demonstrated, and its implications for computational complexity are examined |
| ISBN,Price | 9783319215181 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. EBOOK
3. EBOOK - SPRINGER
4. QUANTUM COMPUTERS
5. Quantum computing
6. Quantum Information Technology, Spintronics
7. QUANTUM OPTICS
8. QUANTUM PHYSICS
9. SPINTRONICS
10. 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 |
| I09644 |
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On Shelf |
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13.
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| Title | Global Atmospheric Phenomena Involving Water : Water Circulation, Atmospheric Electricity, and the Greenhouse Effect |
| Author(s) | Smirnov, Boris M |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | IX, 219 p. 93 illus., 26 illus. in color : online resource |
| Abstract Note | This book covers the role of water in global atmospheric phenomena, focussing on the physical processes involving water molecules and water microparticles. It presents the reader with a detailed look at some of the most important types of global atmospheric phenomena involving water, such as water circulation, atmospheric electricity and the greenhouse effect. Beginning with the cycle of water evaporation and condensation, and the important roles played by the nucleation and growth processes of water microdroplets, the book discusses atmospheric electricity as a secondary phenomenon of water circulation in the atmosphere, comprising a chain of processes involving water molecules and water microdroplets. Finally, the book discusses aspects of the molecular spectroscopy of greenhouse atmospheric components, showing how water molecules and water microdroplets give the main contribution to atmospheric emission in the infrared spectrum range. Featuring numerous didactic schematics and appendices detailing all necessary unit conversion factors, this book is useful to both active researchers and doctoral students working in the fields of atmospheric physics, climate science and molecular spectroscopy |
| ISBN,Price | 9783030580391 |
| Keyword(s) | 1. Atomic, Molecular, Optical and Plasma Physics
2. ATOMS
3. Chemistry, Physical and theoretical
4. EBOOK
5. EBOOK - SPRINGER
6. INORGANIC CHEMISTRY
7. ORGANIC CHEMISTRY
8. PHYSICAL CHEMISTRY
9. PHYSICS
10. PLASMA (IONIZED GASES)
11. PLASMA 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 |
| I09608 |
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On Shelf |
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14.
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| Title | Novel Coronavirus 2019 : In-silico Vaccine Design and Drug Discovery |
| Author(s) | Kumar, Amit;Saxena, Ajit Kumar;Lee, Gwo Giun (Chris);Kashyap, Amita;Jyothsna, G |
| Publication | Singapore, Springer Singapore, 2020. |
| Description | IX, 78 p. 83 illus., 51 illus. in color : online resource |
| Abstract Note | This book highlights the genomic findings, observations, and analysis of DNA/RNA sequences and protein structure of the dreadful virus of this decade- COVID-19. The Corona group of viruses though known species, the strain that caused the Pandemic of 2019 is a completely new strain, belonging to the same corona family with a novel genetic make-up. This makes it a new pathogen which is causing the current outbreak leaving the global scientific community clueless of any therapeutic breakthrough. NCOV enjoys life threatening pathogenicity with mysterious genetic annotations. This book details and offers insights into its viral genetic arrangement, Virulence factors, probable mutations leading to the evolution of this new strain and more. It contains chapters on Virus evolutionary status and Genetic makeup leading to its pathogenicity which can be a new insight in understanding the nature of this clever microorganism and can pave way to the development of new drugs and Vaccines or a novel diagnostic approach for the early prognosis of the disease. A dedicated chapter on annotation of NCOV-19 virulence genes, translation of the genes to protein product, annotation of the antigenic sites on these proteins is also included. In all, this brief is a complete genomic annotation insight of NCOV-19 using AI, Data analytics and Bioinformatics analysis. In the current situation, this book is an extensive preliminary resource for Medical practitioners, Researchers, Academicians, Scientists, Biochemists, Bioinformaticians and other professionals interested in understanding the genetics of Novel Coronavirus 19, the best possible drug targets, ideal vaccine candidates and novel prognostic and diagnostic biomarkers |
| ISBN,Price | 9789811579189 |
| Keyword(s) | 1. BIOINFORMATICS
2. Biological and Medical Physics, Biophysics
3. BIOLOGICAL PHYSICS
4. Biomedical engineering
5. Biomedical Engineering and Bioengineering
6. BIOPHYSICS
7. CHEMISTRY
8. Chemistry, Physical and theoretical
9. Chemistry/Food Science, general
10. EBOOK
11. EBOOK - SPRINGER
12. Health informatics
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 |
| I09596 |
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On Shelf |
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15.
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| Title | Topological Matter : Lectures from the Topological Matter School 2017 |
| Author(s) | Bercioux, Dario;Cayssol, J??r??me;Vergniory, Maia G;Reyes Calvo, M |
| Publication | Cham, Springer International Publishing, 2018. |
| Description | XVI, 261 p. 79 illus., 68 illus. in color : online resource |
| Abstract Note | This book covers basic and advanced aspects in the field of Topological Matter. The chapters are based on the lectures presented during the Topological Matter School 2017. It provides graduate level content introducing the basic concepts of the field, including an introductory session on group theory and topological classification of matter. Different topological phases such as Weyls semi-metals, Majoranas fermions and topological superconductivity are also covered. A review chapter on the major experimental achievements in the field is also provided. The book is suitable not only for master, graduate and young postdoctoral researchers, but also to senior scientists who want to acquaint themselves with the subject. |
| ISBN,Price | 9783319763880 |
| Keyword(s) | 1. Characterization and Evaluation of Materials
2. Chemistry, Physical and theoretical
3. EBOOK
4. EBOOK - SPRINGER
5. MATERIALS SCIENCE
6. Nanoscale science
7. Nanoscale Science and Technology
8. NANOSCIENCE
9. Nanostructures
10. QUANTUM PHYSICS
11. SOLID STATE PHYSICS
12. Strongly Correlated Systems, Superconductivity
13. SUPERCONDUCTIVITY
14. SUPERCONDUCTORS
15. 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 |
| I09556 |
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On Shelf |
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16.
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| Title | Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science |
| Author(s) | Liu, Lai Chung |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | XX, 239 p. 110 illus., 106 illus. in color : online resource |
| Abstract Note | The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions. A great challenge of modern science has been to directly observe atomic motions during structural transitions, and while this was first achieved through a major advance in electron source brightness, the information content was still limited and new methods for image reconstruction using femtosecond electron diffraction methods were needed. One particular challenge lay in reconciling the innumerable possible nuclear configurations with the observation of chemical reaction mechanisms that reproducibly give the same kind of chemistry for large classes of molecules. The author shows that there is a simple solution that occurs during barrier crossing in which the highly anharmonic potential at that point in nuclear rearrangements couples high- and low-frequency vibrational modes to give highly localized nuclear motions, reducing hundreds of potential degrees of freedom to just a few key modes. Specific examples are given in this thesis, including two photoinduced phase transitions in an organic system, a ring closure reaction, and two direct observations of nuclear reorganization driven by spin transitions. The emerging field of structural dynamics promises to change the way we think about the physics of chemistry and this thesis provides tools to make it happen |
| ISBN,Price | 9783030548513 |
| Keyword(s) | 1. Analytical chemistry
2. Atomic, Molecular, Optical and Plasma Physics
3. ATOMS
4. Chemistry, Physical and theoretical
5. CRYSTALLOGRAPHY
6. Crystallography and Scattering Methods
7. EBOOK
8. EBOOK - SPRINGER
9. PHYSICS
10. 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 |
| I09523 |
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On Shelf |
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17.
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| Title | Methods in Statistical Mechanics : A Modern View |
| Author(s) | Civitarese, Osvaldo;Gadella, Manuel |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | XI, 181 p. 3 illus., 2 illus. in color : online resource |
| Abstract Note | This book presents a variety of techniques for tackling phenomena that are not amenable to the conventional approach based on the concept of probabilities. The methods described rely on the use of path integration, thermal Green functions, time-temperature propagators, Liouville operators, second quantization, and field correlators at finite density and temperature. Also exploring the statistical mechanics of unstable quantum systems, the book is intended as a supplementary or reference text for use in one-semester graduate courses on Quantum Mechanics, Thermodynamics, Electromagnetism, and Mathematical Methods in Physics. |
| ISBN,Price | 9783030536589 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. COMPLEX SYSTEMS
3. EBOOK
4. EBOOK - SPRINGER
5. Mathematical Methods in Physics
6. MATHEMATICAL PHYSICS
7. PHYSICS
8. SYSTEM THEORY
9. Theoretical and Computational Chemistry
10. Theoretical, Mathematical and Computational Physics
11. THERMODYNAMICS
|
| Item Type | eBook |
Multi-Media Links
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Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I09517 |
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On Shelf |
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18.
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| Title | Computer Meets Theoretical Physics : The New Frontier of Molecular Simulation |
| Author(s) | Battimelli, Giovanni;Ciccotti, Giovanni;Greco, Pietro |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | X, 206 p. 53 illus., 22 illus. in color : online resource |
| Abstract Note | This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have enormously increased their performance, thus making possible the unprecedented technological revolution that characterizes our present times. This obvious technological advancement has brought with it a silent scientific revolution in the practice of theoretical physics. In particular, in the physics of matter it has opened up a direct route from the microscopic physical laws to observable phenomena. One can now study the time evolution of systems composed of millions of molecules, and simulate the behaviour of macroscopic materials and actually predict their properties. Molecular simulation has provided a new theoretical and conceptual tool that physicists could only dream of when the foundations of statistical mechanics were laid. Molecular simulation has undergone impressive development, both in the size of the scientific community involved and in the range and scope of its applications. It has become the ubiquitous workhorse for investigating the nature of complex condensed matter systems in physics, chemistry, materials and the life sciences. Yet these developments remain largely unknown outside the inner circles of practitioners, and they have so far never been described for a wider public. The main objective of this book is therefore to offer a reasonably comprehensive reconstruction of the early history of molecular simulation addressed to an audience of both scientists and interested non-scientists, describing the scientific and personal trajectories of the main protagonists and discussing the deep conceptual innovations that their work produced |
| ISBN,Price | 9783030393991 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. COMPUTER SIMULATION
3. Data-driven Science, Modeling and Theory Building
4. EBOOK
5. EBOOK - SPRINGER
6. ECONOPHYSICS
7. History and Philosophical Foundations of Physics
8. Numerical and Computational Physics, Simulation
9. PHYSICS
10. Popular Science in Physics
11. Simulation and Modeling
12. Sociophysics
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 |
| I09506 |
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On Shelf |
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19.
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| Title | Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer |
| Author(s) | Solov???yov, Ilia A;Korol, Andrey V;Solov???yov, Andrey V |
| Publication | Cham, Springer International Publishing, 2017. |
| Description | XV, 451 p. 209 illus., 202 illus. in color : online resource |
| Abstract Note | This book introduces readers to MesoBioNano (MBN) Explorer ??? a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface ??? the MBN Studio ??? which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science ??? ranging from the nano- to the meso-scale. MBN Explorer is particularly suited to computing the system???s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer???s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com) |
| ISBN,Price | 9783319560878 |
| 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. COMPUTER SIMULATION
8. EBOOK
9. EBOOK - SPRINGER
10. MAGNETIC MATERIALS
11. MAGNETISM
12. Magnetism, Magnetic Materials
13. Numerical and Computational Physics, Simulation
14. PHYSICS
15. Simulation and Modeling
16. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
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Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I09337 |
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On Shelf |
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20.
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| Title | Handbook of Materials Modeling : Applications: Current and Emerging Materials |
| Author(s) | Andreoni, Wanda;Yip, Sidney |
| Publication | Cham, Springer International Publishing, 2020. |
| Description | 930 illus., 849 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 | 9783319446806 |
| 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 |
| I09207 |
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On Shelf |
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