Kategoria BISAC: Science >> Physics - Mathematical & Computational

This book is for students following an introductory course in numerical methods, numerical techniques or numerical analysis. It introduces MATLAB as a computing environment for experimenting with numerical methods. It approaches the subject from a pragmatic viewpoint; theory is kept at a minimum commensurate with comprehensive coverage of the subject and it contains abundant worked examples which provide easy understanding through a clear and concise theoretical treatment. This edition places even greater emphasis on learning by doing than the previous edition.

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Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (DFT) and its applications to material and biological systems.

The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical and electronic properties of nanoparticles, X-ray structure refinement of proteins, the catalytic process of enzymes and photochemistry...

Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the Conference on Current Trends in Computational Chemistry (CCTCC) to success of which all authors contributed.

Starting with the recent development of modeling of solvation effect using the Polarizable Continuum Model (PCM) at the Coupled-Cluster...

With the unifying theme of abstract evolutionary equations, both linear and nonlinear, in a complex environment, the book presents a multidisciplinary blend of topics, spanning the fields of theoretical and applied functional analysis, partial differential equations, probability theory and numerical analysis applied to various models coming from theoretical physics, biology, engineering and complexity theory.

Truly unique features of the book are: the first simultaneous presentation of two complementary approaches to fragmentation and coagulation problems, by weak compactness methods...

The book reports on the latest theoretical and experimental advances in the field of active flow and combustion control. It covers new developments in actuator technology and sensing, in robust and optimal open- and closed-loop control, as well as in model reduction for control. It collects contributions presented during the third edition of the Active Flow and Combustion Control conference, held in September 10-12, 2014 at the Technische Universitat Berlin (Germany). This conference, as well as the research presented in the book, have been supported by the collaborative research center...