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Applications of Monte Carlo Simulation in Modelling of Biochemical Processes (Book chapter)

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ISBN: 9789533074276 Year: DOI: 10.5772/14984 Language: English
Publisher: IntechOpen Grant: Wellcome Trust - 083174
Subject: Biology
Added to DOAB on : 2019-01-17 11:47:01
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The biochemical models describing complex and dynamic metabolic systems are typically multi-parametric and non-linear, thus the identification of their parameters requires nonlinear regression analysis of the experimental data. The stochastic nature of the experimental samples poses the necessity to estimate not only the values fitting best to the model, but also the distribution of the parameters, and to test statistical hypotheses about the values of these parameters. In such situations the application of analytical models for parameter distributions is totally inappropriate because their assumptions are not applicable for intrinsically non-linear regressions. That is why, Monte Carlo simulations are a powerful tool to model biochemical processes.

Modellierung des dreidimensionalen Strahlungswärmeaustauschs in Verbrennungsräumen mittels Monte Carlo Methode

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ISBN: 9783866445147 Year: Pages: X, 125 p. DOI: 10.5445/KSP/1000017904 Language: GERMAN
Publisher: KIT Scientific Publishing
Subject: Technology (General)
Added to DOAB on : 2019-07-30 20:02:00
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Bei Hochtemperaturprozessen ist die Wärmeübertragung durch Strahlung der dominierende Übertragungsmechanismus. Die Kenntnis der thermischen Belastung spielt bei der Auslegung von Hochtemperaturbauteilen eine entscheidende Rolle. Gegenstand dieser Arbeit ist die Bereitstellung eines Monte Carlo Berechnungsverfahrens, welches den dreidimensionalen Strahlungswärmeaustausch in Verbrennungsräumen vollständig wiedergibt und die Rückkopplung mit dem Verbrennungsprozess erfasst.

Numerical efficiency calibration of in vivo measurement systems : Monte Carlo simulations of in vivo measurement scenarios for the detection of incorporated radionuclides, including validation, analysis of efficiency-sensitive parameters and customized anthropomorphic voxel models

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ISBN: 9783866445093 Year: Pages: X, 237 p. DOI: 10.5445/KSP/1000017470 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Technology (General)
Added to DOAB on : 2019-07-30 20:02:01
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Monte Carlo radiation transport codes were used with virtual models of in vivo measurement equipment. Software was coded to handle memory intensive anthropomorphic voxel models for simulation of measurement scenarios. Tools, methods and models have been validated. Various parameters have been investigated for their sensitivity. Methods based on image registration techniques have been developed to transform existing human models to match with an individual test person.

Advances in Computer Simulation Studies on Crystal Growth

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ISBN: 9783038973560 9783038973577 Year: Pages: 206 DOI: 10.3390/books978-3-03897-357-7 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General)
Added to DOAB on : 2018-11-16 11:51:21
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Crystals are indispensable in technology, nature, and our daily lives. For example, cooking uses many kinds of crystallized products, such as salt, sugar, and fat crystals; electronic devices contain semiconductor crystals; living organisms produce mineral crystals to maintain biological processes; and snow and ice crystals play a crucial role in climate change. For these and other topics related to crystals, an especially important area of research is crystal growth. Computer simulations of crystal growth have become increasingly important as a result of rapid increases in available computing power. Computer simulations can analyze and predict various aspects of crystal growth, including molecular-scale growth and nucleation mechanisms, the structure and dynamics of surfaces and interfaces, and pattern formation. This book presents state-of-the-art research and reviews of computer simulation studies on crystal growth for hard-sphere particles, organic molecules, ice, and functional materials. The studies use a variety of simulation methodologies, including molecular simulations, first-principles simulations, continuum simulations, and multiscale simulations. This book will interest graduate students and researchers in crystal growth science and technology and will provide a helpful reference for scientists who want to familiarize themselves with computer simulations of crystal growth.

New Frontiers in Multiscale Modelling of Advanced Materials

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Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889197552 Year: Pages: 91 DOI: 10.3389/978-2-88919-755-2 Language: English
Publisher: Frontiers Media SA
Subject: General and Civil Engineering --- Materials
Added to DOAB on : 2016-04-07 11:22:02
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Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Applied and Computational Statistics

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ISBN: 9783039281763 9783039281770 Year: Pages: 104 DOI: 10.3390/books978-3-03928-177-0 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Mathematics
Added to DOAB on : 2020-01-30 16:39:46
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Research without statistics is like water in the sand; the latter is necessary to reap the benefits of the former. This collection of articles is designed to bring together different approaches to applied statistics. The studies presented in this book are a tiny piece of what applied statistics means and how statistical methods find their usefulness in different fields of research from theoretical frames to practical applications such as genetics, computational chemistry, and experimental design. This book presents several applications of the statistics: A new continuous distribution with five parameters—the modified beta Gompertz distribution; A method to calculate the p-value associated with the Anderson–Darling statistic; An approach of repeated measurement designs; A validated model to predict statement mutations score; A new family of structural descriptors, called the extending characteristic polynomial (EChP) family, used to express the link between the structure of a compound and its properties. This collection brings together authors from Europe and Asia with a specific contribution to the knowledge in regards to theoretical and applied statistics.

Financial Econometrics

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ISBN: 9783039216260 9783039216277 Year: Pages: 136 DOI: 10.3390/books978-3-03921-627-7 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Economics
Added to DOAB on : 2019-12-09 11:49:15
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Financial econometrics has developed into a very fruitful and vibrant research area in the last two decades. The availability of good data promotes research in this area, specially aided by online data and high-frequency data. These two characteristics of financial data also create challenges for researchers that are different from classical macro-econometric and micro-econometric problems. This Special Issue is dedicated to research topics that are relevant for analyzing financial data. We have gathered six articles under this theme.

Stochastic Processes: Theory and Applications

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ISBN: 9783039219629 9783039219636 Year: Pages: 216 DOI: 10.3390/books978-3-03921-963-6 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Mathematics --- Statistics
Added to DOAB on : 2020-01-07 09:08:26
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The aim of this special issue is to publish original research papers that cover recent advances in the theory and application of stochastic processes. There is especial focus on applications of stochastic processes as models of dynamic phenomena in various research areas, such as queuing theory, physics, biology, economics, medicine, reliability theory, and financial mathematics. Potential topics include, but are not limited to: Markov chains and processes; large deviations and limit theorems; random motions; stochastic biological model; reliability, availability, maintenance, inspection; queueing models; queueing network models; computational methods for stochastic models; applications to risk theory, insurance and mathematical finance.

Keywords

measure of information --- cumulative inaccuracy --- mutual information --- lower record values --- parabolic equation --- Cauchy problem --- Monte Carlo method --- unbiased estimator --- von-Neumann–Ulam scheme --- compound poisson insurance risk model --- expected discounted penalty function --- estimation --- Fourier transform --- Fourier-cosine series --- multidimensional birth-death process --- inhomogeneous continuous-time Markov chain --- rate of convergence --- one dimensional projection --- Wiener–Poisson risk model --- survival probability --- Nonparametric threshold estimation --- wet periods --- total precipitation volume --- asymptotic approximation --- extreme order statistics --- random sample size --- testing statistical hypotheses --- queueing systems --- rate of convergence --- non-stationary --- Markovian queueing models --- limiting characteristics --- queuing network --- retrials --- state-dependent marked Markovian arrival process --- wireless telecommunication networks --- time-dependent queue-length probability --- discrete-time Geo/D/1 queue --- closed-form solution --- Monte Carlo method --- quasi-Monte Carlo method --- Koksma-Hlawka inequality --- quasi-random sequences --- stochastic processes --- processor heating and cooling --- markovian arrival process --- phase-type service time distribution --- impatience --- Quasi-Birth-and-Death process --- matrix-geometric solution --- truncated distribution --- Markovian arrival process --- multi-class arrival processes --- product form --- equity-linked death benefits --- Fourier cosine series expansion --- guaranteed minimum death benefit --- option --- valuation --- Lévy process --- compound Poisson risk model --- generalized Gerber–Shiu discounted penalty function --- Laplace transform --- Dickson–Hipp operator --- recursive formula

Plasma Catalysis

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ISBN: 9783038977506 Year: Pages: 246 DOI: 10.3390/books978-3-03897-751-3 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemical Engineering --- Technology (General)
Added to DOAB on : 2019-04-05 10:34:31
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Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, methane conversion into higher hydrocarbons or oxygenates. It is also widely used for air pollution control (e.g., VOC

Nonparametric Econometric Methods and Application

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ISBN: 9783038979647 9783038979654 Year: Pages: 224 DOI: 10.3390/books978-3-03897-965-4 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Mathematics
Added to DOAB on : 2019-06-26 08:44:06
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The present Special Issue collects a number of new contributions both at the theoretical level and in terms of applications in the areas of nonparametric and semiparametric econometric methods. In particular, this collection of papers that cover areas such as developments in local smoothing techniques, splines, series estimators, and wavelets will add to the existing rich literature on these subjects and enhance our ability to use data to test economic hypotheses in a variety of fields, such as financial economics, microeconomics, macroeconomics, labor economics, and economic growth, to name a few.

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