Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions continues the tradition of the Advances in Protein Chemistry and Structural Biology series has been the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins, with each thematically organized volume guest edited by leading experts in a broad range of protein-related topics.

Advances in Atomic, Molecular, and Optical Physics provides a comprehensive compilation of recent developments in a field that is in a state of rapid growth, as new experimental and theoretical techniques are used on many problems, both old and new. Topics covered include related applied areas, such as atmospheric science, astrophysics, surface physics, and laser physics, with timely articles written by distinguished experts that contain relevant review material and detailed descriptions of important developments in the field.

Although textbooks on the physics of condensed matter consider non-covalent interactions in detail, their application for analysis of protein properties is often poorly presented or omitted. On the other hand, books on biochemistry, molecular modeling or molecular simulation introduce these interactions in the context of the corresponding topic, which sometimes results in superficial explanations of their nature. This book succeeds in uniting comprehensive considerations of non-covalent interactions with the specificity of their application in protein sciences.This second edition includes new chapters on intrinsically disordered proteins, microcalorimetry of proteins, cold denaturation, thermodynamic stability and thermal adaptability of proteins. The ideal aid for students of physics or chemistry, with interests in biology and biophysics, the book can also be useful for students of biology, biochemistry, or biomedicine who want to extend their knowledge of how protein properties are described at the molecular level.

This short textbook covers roughly 13 weeks of lectures on advanced statistical mechanics at the graduate level. It starts with an elementary introduction to the theory of ensembles from classical mechanics, and then goes on to quantum statistical mechanics with density matrix. These topics are covered concisely and briefly. The advanced topics cover the mean-field theory for phase transitions, the Ising models and their exact solutions, and critical phenomena and their scaling theory. The mean-field theories are discussed thoroughly with several different perspectives - focusing on a single degree, or using Feynman-Jensen-Bogoliubov inequality, cavity method, or Landau theory. The renormalization group theory is mentioned only briefly. As examples of computational and numerical approach, there is a chapter on Monte Carlo method including the cluster algorithms. The second half of the book studies nonequilibrium statistical mechanics, which includes the Brownian motion, the Langevin and Fokker-Planck equations, Boltzmann equation, linear response theory, and the Jarzynski equality. The book ends with a brief discussion of irreversibility. The topics are supplemented by problem sets (with partial answers) and supplementary readings up to the current research, such as heat transport with a Fokker-Planck approach.

Advances in Imaging & Electron Physics merges two long-running serials-Advances in Electronics & Electron Physics and Advances in Optical & Electron Microscopy. The series features extended articles on the physics of electron devices (especially semiconductor devices), particle optics at high and low energies, microlithography, image science, and digital image processing, electromagnetic wave propagation, electron microscopy, and the computing methods used in all these domains.

Many physical properties of our universe, such as the relative strength of the fundamental interactions, the value of the cosmological constant, etc., appear to be fine-tuned for existence of human life. One possible explanation of this fine tuning assumes existence of a multiverse, which consists of a very large number of individual universes having different physical properties. Intelligent observers populate only a small subset of these universes, which are fine-tuned for life. In this book we will review several interesting metamaterial systems, which capture many features of important cosmological models and offer insights into the physics of many other non-trivial spacetime geometries, such as microscopic black holes, closed time-like curves (CTCs) and the Alcubierre warp drive.

In Thermal Physics: Thermodynamics and Statistical Mechanics for Scientists and Engineers, the fundamental laws of thermodynamics are stated precisely as postulates and subsequently connected to historical context and developed mathematically. These laws are applied systematically to topics such as phase equilibria, chemical reactions, external forces, fluid-fluid surfaces and interfaces, and anisotropic crystal-fluid interfaces. Statistical mechanics is presented in the context of information theory to quantify entropy, followed by development of the most important ensembles: microcanonical, canonical, and grand canonical. A unified treatment of ideal classical, Fermi, and Bose gases is presented, including Bose condensation, degenerate Fermi gases, and classical gases with internal structure. Additional topics include paramagnetism, adsorption on dilute sites, point defects in crystals, thermal aspects of intrinsic and extrinsic semiconductors, density matrix formalism, the Ising model, and an introduction to Monte Carlo simulation. Throughout the book, problems are posed and solved to illustrate specific results and problem-solving techniques.

Written in the perspective of an experimental chemist, this book puts together some fundamentals from chemistry, solid state physics and quantum chemistry, to help with understanding and predicting the electronic and optical properties of organic semiconductors, both polymers and small molecules. The text is intended to assist graduate students and researchers in the field of organic electronics to use theory to design more efficient materials for organic electronic devices such as organic solar cells, light emitting diodes and field effect transistors. After addressing some basic topics in solid state physics, a comprehensive introduction to molecular orbitals and band theory leads to a description of computational methods based on Hartree-Fock and density functional theory (DFT), for predicting geometry conformations, frontier levels and energy band structures. Topological defects and transport and optical properties are then addressed, and one of the most commonly used transparent conducting polymers, PEDOT:PSS, is described in some detail as a case study.

Improve and optimize efficiency of HVAC and related energy systems from an exergy perspective. From fundamentals to advanced applications, Exergy Analysis of Heating, Air Conditioning, and Refrigeration provides readers with a clear and concise description of exergy analysis and its many uses. Focusing on the application of exergy methods to the primary technologies for heating, refrigerating, and air conditioning, Ibrahim Dincer and Marc A. Rosen demonstrate exactly how exergy can help improve and optimize efficiency, environmental performance, and cost-effectiveness. The book also discusses the analysis tools available, and includes many comprehensive case studies on current and emerging systems and technologies for real-world examples. From introducing exergy and thermodynamic fundamentals to presenting the use of exergy methods for heating, refrigeration, and air conditioning systems, this book equips any researcher or practicing engineer with the tools needed to learn and master the application of exergy analysis to these systems.

This volume presents a series of articles concerning current important topics in quantum chemistry.

This introduction to quantum field theory (QFT) is written by a physical chemist for physical chemists, chemical physicists, and other non-physicists with knowledge of quantum theory but who want to explore ways in which they might use the power of QFT in their investigations. This book starts where many graduate courses in quantum theory that are offered to chemistry students leave off and first develops some of the necessary tools, such as Fock algebra, which is applied to solving the quantum oscillator problem. Then it is used to develop the theory of coherent states, time-dependent perturbation theory, and the treatment of bosons and fermions. With this background, the QFT of a perfect gas is derived and a connection to thermodynamics is demonstrated. Application to imperfect gases provides a new approach to modelling gas-liquid phase transitions. The book concludes with photons and their interaction with molecular ensembles, and brings us to full circle by deriving the blackbody radiation law, which started it all. The power of the QFT methodology and the breadth of its applications should fascinate the reader as it has the author.

This book provides an itinerary to quantum mechanics taking into account the basic mathematics to formulate it. Specifically, it features the main experiments and postulates of quantum mechanics pointing out their mathematical prominent aspects showing how physical concepts and mathematical tools are deeply intertwined. The material covers topics such as analytic mechanics in Newtonian, Lagrangian, and Hamiltonian formulations, theory of light as formulated in special relativity, and then why quantum mechanics is necessary to explain experiments like the double-split, atomic spectra, and photoelectric effect. The Schroedinger equation and its solutions are developed in detail. It is pointed out that, starting from the concept of the harmonic oscillator, it is possible to develop advanced quantum mechanics. Furthermore, the mathematics behind the Heisenberg uncertainty principle is constructed towards advanced quantum mechanical principles. Relativistic quantum mechanics is finally considered.The book is devoted to undergraduate students from University courses of Physics, Mathematics, Chemistry, and Engineering. It consists of 50 self-contained lectures, and any statement and theorem are demonstrated in detail. It is the companion book of "A Mathematical Journey to Relativity", by the same Authors, published by Springer in 2020.

Modelling and Simulation of Reactive Flows presents information on modeling and how to numerically solve reactive flows. The book offers a distinctive approach that combines diffusion flames and geochemical flow problems, providing users with a comprehensive resource that bridges the gap for scientists, engineers, and the industry. Specifically, the book looks at the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms. It considers the most common methods used in practical situations, along with equations for reactive flows, and various techniques-including flamelet, ILDM, and Redim-for jet flames and plumes, with solutions for both. In addition, the book includes techniques to accelerate the convergence of numerical simulation, and a discussion on the analysis of uncertainties with numerical results, making this a useful reference for anyone who is interested in both combustion in free flow and in porous media.

Problems with the conceptual foundations of quantum mechanics date back to attempts by Max Born, Niels Bohr, Werner Heisenberg, as well as many others in the 1920s to continue to employ the classical concept of a particle in the context of the quantum world. The experimental observations at the time and the assumption that the classical concept of a particle was to be preserved have led to an enormous literature on the foundations of quantum mechanics and a great deal of confusion then and now among non-physicists and students in any field that involves quantum theory. It is the historical approach to the teaching of quantum mechanics that is at the root of the problem.Spacetime is the arena within which quantum mechanical phenomena take place. For this reason, several Appendices are devoted to the nature of spacetime as well as to topics that can help us understand it such as vacuum fluctuations, the Unruh effect and Hawking radiation.Because of the success of quantum mechanical calculations, those who wish to understand the foundations of the theory are often given the apocryphal advice, 'just ignore the issue and calculate'. It is hoped that this book will help dispel some of the dismay, frustration, and confusion among those who refuse to take to heart this admonition.

The interface between Physics and Mathematics has been increasingly spotlighted by the discovery of algebraic, geometric, and topological properties in physical phenomena. A profound example is the relation of noncommutative geometry, arising from algebras in mathematics, to the so-called quantum groups in the physical viewpoint. Two apparently unrelated puzzles - the solubility of some lattice models in statistical mechanics and the integrability of differential equations for special problems - are encoded in a common algebraic condition, the Yang-Baxter equation. This backdrop motivates the subject of this book, which reveals Knot Theory as a highly intuitive formalism that is intimately connected to Quantum Field Theory and serves as a basis to String Theory.This book presents a didactic approach to knots, braids, links, and polynomial invariants which are powerful and developing techniques that rise up to the challenges in String Theory, Quantum Field Theory, and Statistical Physics. It introduces readers to Knot Theory and its applications through formal and practical (computational) methods, with clarity, completeness, and minimal demand of requisite knowledge on the subject. As a result, advanced undergraduates in Physics, Mathematics, or Engineering, will find this book an excellent and self-contained guide to the algebraic, geometric, and topological tools for advanced studies in theoretical physics and mathematics.

The interface between Physics and Mathematics has been increasingly spotlighted by the discovery of algebraic, geometric, and topological properties in physical phenomena. A profound example is the relation of noncommutative geometry, arising from algebras in mathematics, to the so-called quantum groups in the physical viewpoint. Two apparently unrelated puzzles - the solubility of some lattice models in statistical mechanics and the integrability of differential equations for special problems - are encoded in a common algebraic condition, the Yang-Baxter equation. This backdrop motivates the subject of this book, which reveals Knot Theory as a highly intuitive formalism that is intimately connected to Quantum Field Theory and serves as a basis to String Theory.This book presents a didactic approach to knots, braids, links, and polynomial invariants which are powerful and developing techniques that rise up to the challenges in String Theory, Quantum Field Theory, and Statistical Physics. It introduces readers to Knot Theory and its applications through formal and practical (computational) methods, with clarity, completeness, and minimal demand of requisite knowledge on the subject. As a result, advanced undergraduates in Physics, Mathematics, or Engineering, will find this book an excellent and self-contained guide to the algebraic, geometric, and topological tools for advanced studies in theoretical physics and mathematics.

Advances in Imaging and Electron Physics merges two long-running serials-Advances in Electronics and Electron Physics and Advances in Optical and Electron Microscopy. The series features extended articles on the physics of electron devices (especially semiconductor devices), particle optics at high and low energies, microlithography, image science and digital image processing, electromagnetic wave propagation, electron microscopy, and the computing methods used in all these domains.