Reaction Rate Theory And Rare Events

Author by : Baron Peters
Languange : en
Publisher by : Elsevier
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Description : Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events Uses graphics and explicit examples to explain concepts Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises


Advances In Quantum Systems In Chemistry Physics And Biology

Author by : Liliana Mammino
Languange : en
Publisher by : Springer Nature
Format Available : PDF, ePub, Mobi
Total Read : 51
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File Size : 48,8 Mb
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Description : This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter.


Introductory Organic Chemistry And Hydrocarbons

Author by : Caio Lima Firme
Languange : en
Publisher by : CRC Press
Format Available : PDF, ePub, Mobi
Total Read : 23
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Description : A novel proposal for teaching organic chemistry based on a broader and simplified use of quantum chemistry theories and notions of some statistical thermodynamic concepts aiming to enrich the learning process of the organic molecular properties and organic reactions. A detailed physical chemistry approach to teach organic chemistry for undergraduate students is the main aim of this book. A secondary objective is to familiarize undergraduate students with computational chemistry since most of illustrations of optimized geometries (plus some topological graphs) and information is from quantum chemistry outputs which will also enable students to obtain a deeper understanding of organic chemistry.


Reviews In Computational Chemistry

Author by : Kenny B. Lipkowitz
Languange : en
Publisher by : John Wiley & Sons
Format Available : PDF, ePub, Mobi
Total Read : 85
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Description : Not only a major reference work for sale to the library market, Reviews in Computational Chemistry is now a purchase by individuals due to the explosive growth in the use of computational chemistry throughout many scientific disciplines. In an instructional and nonmathematical style, these books provide an access to computational methods often outside a researcher's area of expertise. Volumes 9 & 10 represent the next two volumes in the successful series designed to help the chemistry community keep current with the many new developments in computational techniques. Many chapters are written as tutorials to introduce the many facets of computational chemistry, including molecular modeling, computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). The authors provide necessary background and theory, strategies for implementing the methods, pitfalls to avoid, applications, and references.


Multiscale Materials Modeling For Nanomechanics

Author by : Christopher R. Weinberger
Languange : en
Publisher by : Springer
Format Available : PDF, ePub, Mobi
Total Read : 49
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Description : This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.


Kinetics And Thermodynamics Of Multistep Nucleation And Self Assembly In Nanoscale Materials

Author by : Gregoire Nicolis
Languange : en
Publisher by : John Wiley & Sons
Format Available : PDF, ePub, Mobi
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Description : The Advances in Chemical Physics series—the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Kinetics and thermodynamics of fluctuation-induced transitions in multistable systems (G. Nicolis and C. Nicolis) Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems (Titus S. van Erp) Confocal depolarized dynamic light scattering (M. Potenza, T. Sanvito, V. Degiorgio, and M. Giglio) The two-step mechanism and the solution-crystal spinodal for nucleation of crystals in solution (Peter G. Vekilov) Experimental studies of two-step nucleation during two-dimensional crystallization of colloidal particles with short-range attraction (John R. Savage, Liquan Pei, and Anthony D. Dinsmore) On the role of metastable intermediate states in the homogeneous nucleation of solids from solution (James F. Lutsko) Effects of protein size on the high-concentration/low-concentration phase transition (Patrick Grosfils) Geometric constraints in the self-assembly of mineral dendrites and platelets (John J. Kozak) What can mesoscopic level in situ observations teach us about kinetics and thermodynamics of protein crystallization? (Mike Sleutel, Dominique Maes, and Alexander Van Driessche) The ability of silica to induce biomimetic crystallization of calcium carbonate (Matthias Kellermeier, Emilio Melero-GarcÍa, Werner Kunz, and Juan Manuel GarcÍa-Ruiz)


Reaction Rate Constant Computations

Author by : Keli Han
Languange : en
Publisher by : Royal Society of Chemistry
Format Available : PDF, ePub, Mobi
Total Read : 80
Total Download : 341
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Description : The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.


Computational Chemistry

Author by : Claude Le Bris
Languange : en
Publisher by : Gulf Professional Publishing
Format Available : PDF, ePub, Mobi
Total Read : 44
Total Download : 568
File Size : 51,5 Mb
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Description : Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.


Stochastic Processes And Applications

Author by : Grigorios A. Pavliotis
Languange : en
Publisher by : Springer
Format Available : PDF, ePub, Mobi
Total Read : 88
Total Download : 810
File Size : 45,5 Mb
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Description : This book presents various results and techniques from the theory of stochastic processes that are useful in the study of stochastic problems in the natural sciences. The main focus is analytical methods, although numerical methods and statistical inference methodologies for studying diffusion processes are also presented. The goal is the development of techniques that are applicable to a wide variety of stochastic models that appear in physics, chemistry and other natural sciences. Applications such as stochastic resonance, Brownian motion in periodic potentials and Brownian motors are studied and the connection between diffusion processes and time-dependent statistical mechanics is elucidated. The book contains a large number of illustrations, examples, and exercises. It will be useful for graduate-level courses on stochastic processes for students in applied mathematics, physics and engineering. Many of the topics covered in this book (reversible diffusions, convergence to equilibrium for diffusion processes, inference methods for stochastic differential equations, derivation of the generalized Langevin equation, exit time problems) cannot be easily found in textbook form and will be useful to both researchers and students interested in the applications of stochastic processes.


Advances In Chemical Physics

Author by : Ilya Prigogine
Languange : en
Publisher by : John Wiley & Sons
Format Available : PDF, ePub, Mobi
Total Read : 73
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Description : This series provides the chemical physics community with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 111 continues to report recent advances with significant, up-to-date chapters by internationally-recognized researchers.


Innovations In Biomolecular Modeling And Simulations

Author by : Tamar Schlick
Languange : en
Publisher by : Royal Society of Chemistry
Format Available : PDF, ePub, Mobi
Total Read : 87
Total Download : 251
File Size : 49,7 Mb
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Description : The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.


Rare Event Simulation Using Monte Carlo Methods

Author by : Gerardo Rubino
Languange : en
Publisher by : John Wiley & Sons
Format Available : PDF, ePub, Mobi
Total Read : 20
Total Download : 205
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Description : In a probabilistic model, a rare event is an event with a very small probability of occurrence. The forecasting of rare events is a formidable task but is important in many areas. For instance a catastrophic failure in a transport system or in a nuclear power plant, the failure of an information processing system in a bank, or in the communication network of a group of banks, leading to financial losses. Being able to evaluate the probability of rare events is therefore a critical issue. Monte Carlo Methods, the simulation of corresponding models, are used to analyze rare events. This book sets out to present the mathematical tools available for the efficient simulation of rare events. Importance sampling and splitting are presented along with an exposition of how to apply these tools to a variety of fields ranging from performance and dependability evaluation of complex systems, typically in computer science or in telecommunications, to chemical reaction analysis in biology or particle transport in physics. Graduate students, researchers and practitioners who wish to learn and apply rare event simulation techniques will find this book beneficial.


An Introduction To Theoretical Chemistry

Author by : Jack Simons
Languange : en
Publisher by : Cambridge University Press
Format Available : PDF, ePub, Mobi
Total Read : 17
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Description : Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.


Quantum Dissipative Systems Second Edition

Author by : Weiss Ulrich
Languange : en
Publisher by : World Scientific
Format Available : PDF, ePub, Mobi
Total Read : 70
Total Download : 721
File Size : 49,6 Mb
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Description : Recent advances in the quantum theory of macroscopic systems have brightened up the field and brought it into the focus of a general community in natural sciences. The fundamental concepts, methods and applications including the most recent developments, previously covered for the most part only in the original literature, are presented here in a comprehensive treatment to an audience who is reasonably familiar with quantum-statistical mechanics and has had rudimentary contacts with the path integral formulation.This book deals with the phenomena and theory of decoherence and dissipation in quantum mechanics that arise from the interaction with the environment. A general path integral description of equilibrium thermodynamics and non-equilibrium dynamics is developed. The approach can deal with weak and strong dissipation, and with all kinds of memory effects. Applications to numerous phenomenological and microscopic systems are presented, where emphasis is put on condensed matter and chemical physics. The basic principles and methods of preparation functions, propagating functions, and time correlation functions are described. Special attention is focused on quantum tunneling and quantum coherence phenomena of macroscopic variables. Many illustrative realistic examples are discussed in some detail. The book attempts to provide a broad perspective and to open up this rapidly developing field to interested researchers normally working in different fields.In this enlarged second edition, the nineteen chapters of the first edition have been expanded by about one-third to better meet both the requests of newcomers to the field and of advanced readers, and seven new chapters have been added that review the most recent important developments.


Concepts Of Modern Catalysis And Kinetics

Author by : I. Chorkendorff
Languange : en
Publisher by : John Wiley & Sons
Format Available : PDF, ePub, Mobi
Total Read : 48
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File Size : 55,9 Mb
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Description : In the past 12 years since its publication, Concepts of Modern Catalysis and Kinetics has become a standard textbook for graduate students at universities worldwide. Emphasizing fundamentals from thermodynamics, physical chemistry, spectroscopy, solid state chemistry and quantum chemistry, it introduces catalysis from a molecular perspective, and stresses how it is interwoven with the field of reaction kinetics. The authors go on to explain how the world of reacting molecules is connected to the real world of industry, by discussing the various scales (nano - micro - macro) that play a role in catalysis. Reflecting the modern-day focus on energy supplies, this third edition devotes attention to such processes as gas-to-liquids, coal-to-liquids, biomass conversion and hydrogen production. From reviews of the prior editions: 'Overall, this is a valuable book that I will use in teaching undergraduates and postgraduates.' (Angewandte Chemie - I. E.) '...this excellent book is highly recommended to students at technical universities, but also entrants in chemical industry. Furthermore, this informative handbook is also a must for all professionals in the community.' (AFS) 'I am impressed by the coverage of the book and it is a valuable addition to the catalysis literature and I highly recommend purchase' (Energy Sources)


Iutam Symposium On Hamiltonian Dynamics Vortex Structures Turbulence

Author by : Alexey V. Borisov
Languange : en
Publisher by : Springer Science & Business Media
Format Available : PDF, ePub, Mobi
Total Read : 89
Total Download : 344
File Size : 55,9 Mb
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Description : This work brings together previously unpublished notes contributed by participants of the IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures, Turbulence (Moscow, 25-30 August 2006). The study of vortex motion is of great interest to fluid and gas dynamics: since all real flows are vortical in nature, applications of the vortex theory are extremely diverse, many of them (e.g. aircraft dynamics, atmospheric and ocean phenomena) being especially important.


Theoretical Surface Science

Author by : Axel Groß
Languange : en
Publisher by : Springer Science & Business Media
Format Available : PDF, ePub, Mobi
Total Read : 75
Total Download : 466
File Size : 42,6 Mb
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Description : Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. In this book the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented. Based on the fundamental theoretical entity, the Hamiltonian, a hierarchy of theoretical methods is introduced. Furthermore, a detailed discussion of surface phenomena is given and comparisons made to experimental results made, making the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science.


Computational Modelling Of Nanoparticles

Author by : Stefan T. Bromley
Languange : en
Publisher by : Elsevier
Format Available : PDF, ePub, Mobi
Total Read : 77
Total Download : 647
File Size : 49,6 Mb
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Description : Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications


Self Organized Biological Dynamics And Nonlinear Control

Author by : Jan Walleczek
Languange : en
Publisher by : Cambridge University Press
Format Available : PDF, ePub, Mobi
Total Read : 33
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File Size : 41,6 Mb
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Description : The growing impact of nonlinear science on biology and medicine is fundamentally changing our view of living organisms and disease processes. This book introduces the application to biomedicine of a broad range of interdisciplinary concepts from nonlinear dynamics, such as self-organization, complexity, coherence, stochastic resonance, fractals and chaos. It comprises 18 chapters written by leading figures in the field and covers experimental and theoretical research, as well as the emerging technological possibilities such as nonlinear control techniques for treating pathological biodynamics, including heart arrhythmias and epilepsy. This book will attract the interest of professionals and students from a wide range of disciplines, including physicists, chemists, biologists, sensory physiologists and medical researchers such as cardiologists, neurologists and biomedical engineers.


Principles Of Multiscale Modeling

Author by : Weinan E
Languange : en
Publisher by : Cambridge University Press
Format Available : PDF, ePub, Mobi
Total Read : 75
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Description : A systematic discussion of the fundamental principles, written by a leading contributor to the field.


Theories Of Molecular Reaction Dynamics

Author by : Niels E. Henriksen
Languange : en
Publisher by : Oxford University Press, USA
Format Available : PDF, ePub, Mobi
Total Read : 98
Total Download : 615
File Size : 53,5 Mb
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Description : This book deals with a central topic at the interface of chemistry and physics--the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. The emphasis is on concepts and insights obtained via analytical theories rather than computational and numerical aspects. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.


Computational Approaches For Chemistry Under Extreme Conditions

Author by : Nir Goldman
Languange : en
Publisher by : Springer
Format Available : PDF, ePub, Mobi
Total Read : 96
Total Download : 299
File Size : 52,6 Mb
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Description : This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.


Essential Computational Modeling In Chemistry

Author by : Philippe G. Ciarlet
Languange : en
Publisher by : Elsevier
Format Available : PDF, ePub, Mobi
Total Read : 86
Total Download : 249
File Size : 52,7 Mb
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Description : Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides a quick reference of computational methods for use in understanding chemical reactions and how to control them. By demonstrating various computational methods in research, scientists can predict such things as molecular properties. The reference offers a number of techniques and the numerical analysis needed to perform rigorously founded computations. Various viewpoints of methods and applications are available for researchers to chose and experiment with; Numerical analysis and open problems is useful for experimentation; Most commonly used models and techniques for the molecular case is quickly accessible


Advanced Computer Simulation Approaches For Soft Matter Sciences Iii

Author by : Christian Holm
Languange : en
Publisher by : Springer Science & Business Media
Format Available : PDF, ePub, Mobi
Total Read : 41
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Description : “Soft matter” is nowadays used to describe an increasingly important class of - terials that encompasses polymers, liquid crystals, molecular assemblies building hierarchical structures, organic-inorganic hybrids, and the whole area of colloidal science. Common to all is that ?uctuations, and thus the thermal energy k T and B entropy, play an important role. “Soft” then means that these materials are in a state of matter that is neither a simple liquid nor a hard solid of the type studied in hard condensed matter, hence sometimes many types of soft matter are also named “c- plex ?uids. ” Soft matter, either of synthetic or biological origin, has been a subject of physical and chemical research since the early ?nding of Staudinger that long chain mo- cules exist. From then on, synthetic chemistry as well as physical characterization underwent an enormous development. One of the outcomes is the abundant pr- ence of polymeric materials in our everyday life. Nowadays, methods developed for synthetic polymers are being more and more applied to biological soft matter. The link between modern biophysics and soft matter physics is quite close in many respects. This also means that the focus of research has moved from simple - mopolymers to more complex structures, such as branched objects, heteropolymers (random copolymers, proteins), polyelectrolytes, amphiphiles and so on.


The Statistical Physics Of Fixation And Equilibration In Individual Based Models

Author by : Peter Ashcroft
Languange : en
Publisher by : Springer
Format Available : PDF, ePub, Mobi
Total Read : 54
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Description : This thesis explores several interdisciplinary topics at the border of theoretical physics and biology, presenting results that demonstrate the power of methods from statistical physics when applied to neighbouring disciplines. From birth-death processes in switching environments to discussions on the meaning of quasi-potential landscapes in high-dimensional spaces, this thesis is a shining example of the efficacy of interdisciplinary research. The fields advanced in this work include game theory, the dynamics of cancer, and invasion of mutants in resident populations, as well as general contributions to the theory of stochastic processes. The background material provides an intuitive introduction to the theory and applications of stochastic population dynamics, and the use of techniques from statistical physics in their analysis. The thesis then builds on these foundations to address problems motivated by biological phenomena.


Some Applications Of Quantum Mechanics

Author by : Mohammad Reza Pahlavani
Languange : en
Publisher by : BoD – Books on Demand
Format Available : PDF, ePub, Mobi
Total Read : 48
Total Download : 914
File Size : 48,6 Mb
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Description : Quantum mechanics, shortly after invention, obtained applications in different area of human knowledge. Perhaps, the most attractive feature of quantum mechanics is its applications in such diverse area as, astrophysics, nuclear physics, atomic and molecular spectroscopy, solid state physics and nanotechnology, crystallography, chemistry, biotechnology, information theory, electronic engineering... This book is the result of an international attempt written by invited authors from over the world to response daily growing needs in this area. We do not believe that this book can cover all area of application of quantum mechanics but wish to be a good reference for graduate students and researchers.


New Trends In Kramers Reaction Rate Theory

Author by : P. Talkner
Languange : en
Publisher by : Springer Science & Business Media
Format Available : PDF, ePub, Mobi
Total Read : 93
Total Download : 869
File Size : 42,9 Mb
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Description : The escape from metastable states via noise-assisted hopping and/or tunneling is pivotal to many scientific disciplines. It impacts on such diverse physical, chemical and biological processes as diffusion in solids, chemical reactions, nucleation phenomena and transfer of matter and information in biological systems. This volume surveys recent developments in the rate theory of both equilibrium and nonequilibrium processes. The understanding of the classical and quantum-mechanical concepts of this theory is deepened and extended in order to cope with various problems which, in particular, arise in complex systems. A wide range of applications are discussed such as correlated hops in periodic potentials, fluctuating barriers, transitions to limit cycles, discrete time dynamics, random walks on selfsimilar structures, and nonexponential decay in disordered systems is covered and profoundly discussed. For research workers and graduate students in chemistry, physics and biology with an interest in reaction rate theory.