This book is a printed edition of the Special Issue "Advances in Computer Simulation Studies on Crystal Growth" that was published in Crystals

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.

Computer simulation studies in condensed matter physics form a rapidly developing field making sigificant contributions to important physical problems. The papers in this volume present new physical results and report new simulation techniques and new ways of interpreting simulational data, which cover simulation of both classical and quantum systems. Topics treated include - Multigrid and nonlocal updating methods in Monte Carlo simulations - Simulations of magnetic excitations and phase transitions - Simulations of aggregate formation - Molecular dynamics and Monte Carlo studies of polymers, polymer mixtures, and fluid flow - Quantum path integral and molecular dynamics studies of clusters and adsorbed layers on surfaces - New methods for simulating interacting boson and fermion systems - Simulational studies of electronic structure.

FCCS2012 is an integrated conference concentrating its focus on Future Computer and Control Systems. “Advances in Future Computer and Control Systems” presents the proceedings of the 2012 International Conference on Future Computer and Control Systems(FCCS2012) held April 21-22,2012, in Changsha, China including recent research results on Future Computer and Control Systems of researchers from all around the world.

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society

Recent Advances in Science and Technology of Zeolites and Related Materials is a collection of oral and poster communications, presented during the 14th International Zeolite Conference (IZC). The conference was hosted by the Catalysis Society of South Africa. In the tradition of the IZC series, this Conference provides a forum for the presentation of new knowledge in the science and technology of zeolites and related materials. Papers presented cover a wide range of topics that include synthesis, structure determination, characterisation, modelling, and catalysis. This highly visual book is a must for readers looking to stay up-to-date on zeolite science. * This three-part volume provides valuable information on zeolites and related materials* Includes papers that cover topics such as structure determination, modelling and separation processes* Contains new and exciting developments in the field

Crystals are the unacknowledged pillars of modern technology. The modern technological developments depend greatly on the availability of suitable single crystals, whether it is for lasers, semiconductors, magnetic devices, optical devices, superconductors, telecommunication, etc. In spite of great technological advancements in the recent years, we are still in the early stage with respect to the growth of several important crystals such as diamond, silicon carbide, PZT, gallium nitride, and so on. Unless the science of growing these crystals is understood precisely, it is impossible to grow them as large single crystals to be applied in modern industry. This book deals with almost all the modern crystal growth techniques that have been adopted, including appropriate case studies. Since there has been no other book published to cover the subject after the Handbook of Crystal Growth, Eds. DTJ Hurle, published during 1993-1995, this book will fill the existing gap for its readers. The book begins with "Growth Histories of Mineral Crystals" by the most senior expert in this field, Professor Ichiro Sunagawa. The next chapter reviews recent developments in the theory of crystal growth, which is equally important before moving on to actual techniques. After the first two fundamental chapters, the book covers other topics like the recent progress in quartz growth, diamond growth, silicon carbide single crystals, PZT crystals, nonlinear optical crystals, solid state laser crystals, gemstones, high melting oxides like lithium niobates, hydroxyapatite, GaAs by molecular beam epitaxy, superconducting crystals, morphology control, and more. For the first time, the crystal growth modeling has been discussed in detail with reference to PZT and SiC crystals.