Author: Publisher: DIANE Publishing
ISBN: 9781422318775
Category :
Languages : en
Pages : 12
Book Description
Simulations of Gamma Cascades and Modelling Atomic Collision Chains
Author: Publisher: DIANE Publishing
ISBN: 9781422318775
Category :
Languages : en
Pages : 12
Book Description
Journal of Research of the National Institute of Standards and Technology
Author: Computer Simulation of Electronic Excitation in Atomic Collision Cascades
Author: Andreas DuvenbeckApplied Science & Technology Index
Author: Time-Dependent Density-Functional Theory
Author: Carsten UllrichPublisher: Oxford University Press
ISBN: 0199563020
Category : Science
Languages : en
Pages : 541
Book Description
Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Statistical Rethinking
Author: Richard McElreathPublisher: CRC Press
ISBN: 1315362619
Category : Mathematics
Languages : en
Pages : 488
Book Description
Statistical Rethinking: A Bayesian Course with Examples in R and Stan builds readers’ knowledge of and confidence in statistical modeling. Reflecting the need for even minor programming in today’s model-based statistics, the book pushes readers to perform step-by-step calculations that are usually automated. This unique computational approach ensures that readers understand enough of the details to make reasonable choices and interpretations in their own modeling work. The text presents generalized linear multilevel models from a Bayesian perspective, relying on a simple logical interpretation of Bayesian probability and maximum entropy. It covers from the basics of regression to multilevel models. The author also discusses measurement error, missing data, and Gaussian process models for spatial and network autocorrelation. By using complete R code examples throughout, this book provides a practical foundation for performing statistical inference. Designed for both PhD students and seasoned professionals in the natural and social sciences, it prepares them for more advanced or specialized statistical modeling. Web Resource The book is accompanied by an R package (rethinking) that is available on the author’s website and GitHub. The two core functions (map and map2stan) of this package allow a variety of statistical models to be constructed from standard model formulas.
Atomic and Plasma-material Interaction Data for Fusion
Author: X-Ray Charge Densities and Chemical Bonding
Author: Philip CoppensPublisher: International Union of Crystallography
ISBN: 0195098234
Category : Science
Languages : en
Pages : 373
Book Description
This book deals with the electron density distribution in molecules and solids as obtained experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved, and the interpretation of the experimental results in terms of chemical bonding and intermolecular interactions. Inorganic and organic solids, as well as metals, are covered in the chapters dealing with specific systems. As a whole, this monograph is especially appealing because of its broad interface with numerous disciplines. Accurate X-ray diffraction intensities contain fundamental information on the charge distribution in crystals, which can be compared directly with theoretical results, and used to derive other physical properties, such as electrostatic moments, the electrostatic potential and lattice energies, which are accessible by spectroscopic and thermodynamic measurements. Consequently, the work will be of great interest to a broad range of crystallographers and physical scientists.
Physics in Nuclear Medicine
Author: Simon R. CherryPublisher:
ISBN:
Category : Medical
Languages : en
Pages : 552
Book Description
In this work, the authors provide up-to-date, comprehensive information on the physics underlying modern nuclear medicine and imaging using radioactively labelled tracers. Examples are presented with solutions worked out in step-by-step detail, illustrating important concepts and calculations.
Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design
Author: Sanjeev Kumar SinghPublisher: Springer Nature
ISBN: 9811589364
Category : Science
Languages : en
Pages : 334
Book Description
This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.