Computational Science Iccs 2003 Part 1

Computational Science - ICCS 2007

Annotation The four-volume set LNCS 4487-4490 constitutes the refereed proceedings of the 7th International Conference on Computational Science, ICCS 2007, held in Beijing, China in May 2007. More than 2400 submissions were made to the main conference and its 35 topical workshops. The 80 revised full papers and 11 revised short papers of the main track were carefully reviewed and selected from 360 submissions and are presented together with 624 accepted workshop papers in four volumes. According to the ICCS 2007 theme "Advancing Science and Society through Computation" the papers cover a large volume of topics in computational science and related areas, from multiscale physics, to wireless networks, and from graph theory to tools for program development. The papers are arranged in topical sections on efficient data management, parallel monte carlo algorithms, simulation of multiphysics multiscale systems, dynamic data driven application systems, computer graphics and geometric modeling, computer algebra systems, computational chemistry, computational approaches and techniques in bioinformatics, computational finance and business intelligence, geocomputation, high-level parallel programming, networks theory and applications, collective intelligence for semantic and knowledge grid, collaborative and cooperative environments, tools for program development and analysis in CS, intelligent agents in computing systems, CS in software engineering, computational linguistics in HCI, internet computing in science and engineering, workflow systems in e-science, graph theoretic algorithms and applications in cs, teaching CS, high performance data mining, mining text, semi-structured, Web, or multimedia data, computational methods in energy economics, risk analysis, advances in computational geomechanics and geophysics, meta-synthesis and complex systems, scientific computing in electronics engineering, wireless and mobile systems, high performance networked media and services, evolution toward next generation internet, real time systems and adaptive applications, evolutionary algorithms and evolvable systems.

Computational Science - ICCS ...

Quantum Crystallography

Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi.