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Author | Title | Accn# | Year | Item Type | Claims |
| 1 |
Santamaria, Ruben |
Molecular Dynamics |
I12921 |
2023 |
eBook |
|
| 2 |
Kamberaj, Hiqmet |
Computer Simulations in Molecular Biology |
I12751 |
2023 |
eBook |
|
| 3 |
Cao, Duanyun |
Structures and Dynamics of Interfacial Water |
I12678 |
2023 |
eBook |
|
| 4 |
Nishi, Takanori |
Photoelectron-Ion Correlation in Photoionization of a Hydrogen Molecule and Molecule-Photon Dynamics in a Cavity |
I12556 |
2022 |
Book |
|
| 5 |
Onishi, Taku |
Quantum Science |
I12288 |
2022 |
Book |
|
| 6 |
Bauerhenne, Bernd |
Materials Interaction with Femtosecond Lasers |
I11873 |
2021 |
eBook |
|
| 7 |
Likhtenshtein, Gertz I |
Biological Water |
I11866 |
2021 |
eBook |
|
| 8 |
Angelo Gavezzotti |
Molecular aggregation |
OB1043 |
|
eBook |
|
| 9 |
David Flower |
Molecular collisions in the interstellar medium |
OB0635 |
|
Book |
|
| 10 |
D.C. Rapaport |
Art of molecular dynamics simulation |
012877 |
1995 |
Book |
|
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1.
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| Title | Molecular Dynamics |
| Author(s) | Santamaria, Ruben |
| Publication | Cham, 1. Imprint: Springer
2. Springer Nature Switzerland, 2023. |
| Description | XVIII, 385 p. 54 illus., 47 illus. in color : online resource |
| Abstract Note | This molecular dynamics textbook takes the reader from classical mechanics to quantum mechanics and vice versa, and from few-body systems to many-body systems. It is self-contained, comprehensive, and builds the theory of molecular dynamics from basic principles to applications, allowing the subject to be appreciated by readers from physics, chemistry, and biology backgrounds while maintaining mathematical rigor. The book is enhanced with illustrations, problems and solutions, and suggested reading, making it ideal for undergraduate and graduate courses or self-study. With coverage of recent developments, the book is essential reading for students who explore and characterize phenomena at the atomic level. It is a useful reference for researchers in physics and chemistry, and can act as an entry point for researchers in nanoscience, materials engineering, genetics, and related fields who are seeking a deeper understanding of nature |
| ISBN,Price | 9783031370427 |
| Keyword(s) | 1. Atomic, Molecular and Chemical Physics
2. ATOMS
3. BIOPHYSICS
4. Computational Physics and Simulations
5. COMPUTER SIMULATION
6. EBOOK - SPRINGER
7. MATHEMATICAL PHYSICS
8. MOLECULAR DYNAMICS
9. MOLECULES
10. PHYSICAL CHEMISTRY
|
| Item Type | eBook |
Multi-Media Links
media link description
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I12921 |
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On Shelf |
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2.
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| Title | Computer Simulations in Molecular Biology |
| Author(s) | Kamberaj, Hiqmet |
| Publication | Cham, 1. Imprint: Springer
2. Springer Nature Switzerland, 2023. |
| Description | XIII, 298 p. 122 illus., 102 illus. in color : online resource |
| Abstract Note | This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biological systems and presents case studies of quantum mechanics simulations for predicting electronic properties. Its pedagogical formatting makes it easy for students to understand and follow and has been praised for providing clear and detailed explanations of complex topics. This book is ideal for graduate students and researchers in theoretical and computational biophysics, physics, chemistry, and materials science, as well as postgraduates in applied mathematics, computer science, and bioinformatics |
| ISBN,Price | 9783031348396 |
| Keyword(s) | 1. ASTRONOMY
2. BIOPHYSICS
3. Computer Modelling
4. COMPUTER SIMULATION
5. EBOOK - SPRINGER
6. MOLECULAR DYNAMICS
7. PHYSICS
8. PHYSICS AND ASTRONOMY
9. QUANTUM PHYSICS
10. Quantum Simulations
|
| Item Type | eBook |
Multi-Media Links
media link description
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I12751 |
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On Shelf |
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3.
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| Title | Structures and Dynamics of Interfacial Water |
| Author(s) | Cao, Duanyun |
| Publication | Singapore, 1. Imprint: Springer
2. Springer Nature Singapore, 2023. |
| Description | XII, 140 p. 79 illus., 74 illus. in color : online resource |
| Abstract Note | This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics. Using the first principles calculation, classical molecular dynamics simulation and the simulation of atomic force microscopy (AFM), combined with the experimental results of AFM, the book systematically studies interfacial water at the atomic scale, especially the structure and growth mechanism of two-dimensional ice on hydrophobic Au (111) surface, the structure and the interconversion of the Eigen/Zundel hydrated proton on the Au(111) and Pt(111) surfaces, the microstructure and the hydration effect of the diffusion of ion hydrates on NaCl surface. This book displays the atomic scale information about the interaction between water and surface, and achieves many innovative results. Furthermore, the research methods included in this book can be further extended to study the more complex interfacial systems |
| ISBN,Price | 9789811969218 |
| Keyword(s) | 1. CONDENSED MATTER
2. EBOOK - SPRINGER
3. MOLECULAR DYNAMICS
4. Phase Transition and Critical Phenomena
5. Structure of Condensed Matter
6. Surface and Interface and Thin Film
7. Surfaces (Physics)
8. Two-dimensional Materials
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| Item Type | eBook |
Multi-Media Links
media link description
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I12678 |
|
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On Shelf |
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4.
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| Title | Photoelectron-Ion Correlation in Photoionization of a Hydrogen Molecule and Molecule-Photon Dynamics in a Cavity |
| Author(s) | Nishi, Takanori |
| Publication | Singapore, 1. Imprint: Springer
2. Springer Nature Singapore, 2022. |
| Description | XII, 95 p. 23 illus., 19 illus. in color : online resource |
| Abstract Note | This book presents the latest theoretical studies giving new predictions and interpretations on the quantum correlation in molecular dynamics induced by ultrashort laser pulses. The author quantifies the amount of correlation in terms of entanglement by employing methods developed in quantum information science, in particular applied to the photoionization of a hydrogen molecule. It is also revealed that the photoelectron???ion correlation affects the vibrational dynamics of the molecular ion and induces the attosecond-level time delay in the molecular vibration. Furthermore, the book also presents how molecular vibration can couple to photons in a plasmoic nanocavity. Physicists and chemists interested in the ultrafast molecular dynamics would be the most relevant readers. They can learn how we can employ the quantum-information-science tools to understand the correlation in the molecular dynamics and why we should consider the correlation between the photoelectron and the molecular ion to describe the ion???s dynamics. They can also learn how to treat a molecule coupled to photons in a nanocavity. All the topics are related to the state-of-the-art experiments, and so, it is important to publish these results to enhance the understanding and to induce new experiments to confirm the theory presented. |
| ISBN,Price | 9789811917783 |
| Keyword(s) | 1. Atomic, Molecular and Chemical Physics
2. ATOMS
3. EBOOK
4. EBOOK - SPRINGER
5. MOLECULAR DYNAMICS
6. MOLECULES
7. PHOTONICS
8. Quantum Correlation and Entanglement
9. QUANTUM ENTANGLEMENT
10. Ultrafast Photonics
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| Item Type | Book |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I12556 |
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On Shelf |
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5.
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| Title | Quantum Science : The Frontier of Physics and Chemistry |
| Author(s) | Onishi, Taku |
| Publication | Singapore, 1. Imprint: Springer
2. Springer Nature Singapore, 2022. |
| Description | IX, 496 p. 138 illus., 90 illus. in color : online resource |
| Abstract Note | This book focuses on recent topics of quantum science in both physics and chemistry. Until now, quantum science has not been fully discussed from the interdisciplinary vantage points of both physics and chemistry. This book, however, is written not only for theoretical physicists and chemists, but also for experimentalists in the fields of physical chemistry and condensed matter physics, as collaboration and interplay between construction of quantum theory, and experimentation has become more important. Tips for starting new types of research projects will be found in an understanding of cutting-edge quantum science. In Part I, quantum electronic structures are explained in cases of strongly correlated copper oxides and heavy elements. In Part II, quantum molecular dynamics is investigated by computational approaches and molecular beam experiments. In Part III, after lithium problem in big bang nucleosynthesis scenario is considered using supersymmetric standard model, quantum theories in atomic and molecular systems are reviewed. Finally, in Part IV, the development of quantum computational method is introduced. |
| ISBN,Price | 9789811944215 |
| Keyword(s) | 1. EBOOK
2. EBOOK - SPRINGER
3. MOLECULAR DYNAMICS
4. MOLECULAR SPECTROSCOPY
5. PARTICLE PHYSICS
6. PARTICLES (NUCLEAR PHYSICS)
7. QUANTUM CHEMISTRY
8. QUANTUM PHYSICS
9. Reaction Mechanisms
10. Reaction mechanisms (Chemistry)
|
| Item Type | Book |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I12288 |
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On Shelf |
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6.
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| Title | Materials Interaction with Femtosecond Lasers : Theory and Ultra-Large-Scale Simulations of Thermal and Nonthermal Pheomena |
| Author(s) | Bauerhenne, Bernd |
| Publication | Cham, Springer International Publishing, 2021. |
| Description | XXXII, 536 p. 224 illus., 161 illus. in color : online resource |
| Abstract Note | This book presents a unified view of the response of materials as a result of femtosecond laser excitation, introducing a general theory that captures both ultrashort-time non-thermal and long-time thermal phenomena. It includes a novel method for performing ultra-large-scale molecular dynamics simulations extending into experimental and technological spatial dimensions with ab-initio precision. For this, it introduces a new class of interatomic potentials, constructed from ab-initio data with the help of a self-learning algorithm, and verified by direct comparison with experiments in two different materials ??? the semiconductor silicon and the semimetal antimony. In addition to a detailed description of the new concepts introduced, as well as giving a timely review of ultrafast phenomena, the book provides a rigorous introduction to the field of laser???matter interaction and ab-initio description of solids, delivering a complete and self-contained examination of the topic from the very first principles. It explains, step by step from the basic physical principles, the underlying concepts in quantum mechanics, solid-state physics, thermodynamics, statistical mechanics, and electrodynamics, introducing all necessary mathematical theorems as well as their proofs. A collection of appendices provide the reader with an appropriate review of many fundamental mathematical concepts, as well as important analytical and numerical parameters used in the simulations |
| ISBN,Price | 9783030851354 |
| Keyword(s) | 1. Computational Physics and Simulations
2. COMPUTER SIMULATION
3. CONDENSED MATTER
4. CONDENSED MATTER PHYSICS
5. EBOOK
6. EBOOK - SPRINGER
7. Laser-Matter Interaction
8. LASERS
9. MATHEMATICAL PHYSICS
10. MOLECULAR DYNAMICS
11. SEMICONDUCTORS
12. Theoretical, Mathematical and Computational Physics
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I11873 |
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On Shelf |
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7.
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| Title | Biological Water : Physicochemical Aspects |
| Author(s) | Likhtenshtein, Gertz I |
| Publication | Cham, Springer International Publishing, 2021. |
| Description | XI, 520 p. 407 illus., 355 illus. in color : online resource |
| Abstract Note | This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine |
| ISBN,Price | 9783030825034 |
| Keyword(s) | 1. Biomolecules
2. BIOPHYSICS
3. CONDENSED MATTER
4. CRYSTALLOGRAPHY
5. Crystallography and Scattering Methods
6. EBOOK
7. EBOOK - SPRINGER
8. MOLECULAR BIOPHYSICS
9. MOLECULAR DYNAMICS
10. SPECTROSCOPY
11. SPECTRUM ANALYSIS
12. Structure of Condensed Matter
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I11866 |
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On Shelf |
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