Quantum Computation and Quantum Information (QIP) deals with the identification and use of quantum resources for information processing. This includes three main branches of investigation: quantum algorithm design, quantum simulation andquantum communication, including quantum cryptography. Along the past few years, QIP has become one of the most active area ofresearch in both, theoretical and experimental physics, attracting students and researchers fascinated, not only by the potentialpr...

X-ray absorption fine structure spectroscopy (XAFS) is a powerful and versatile technique for studying structures of materials in chemistry, physics, biology and other fields. This textbook is a comprehensive, practical guide to carrying out and interpreting XAFS experiments. Assuming only undergraduate-level physics and mathematics, the textbook is ideally suited for graduate students in physics and chemistry starting XAFS-based research. It contains concise executable example programs in...

Aimed at students and researchers entering the field, this pedagogical introduction to numerical relativity will also interest scientists seeking a broad survey of its challenges and achievements. Assuming only a basic knowledge of classical general relativity, the book develops the mathematical formalism from first principles, and then highlights some of the pioneering simulations involving black holes and neutron stars, gravitational collapse and gravitational waves. The book contains 30...

Building up gradually from first principles, this unique introduction to modern thermodynamics integrates classical, statistical and molecular approaches and is especially designed to support students studying chemical and biochemical engineering. In addition to covering traditional problems in engineering thermodynamics in the context of biology and materials chemistry, students are also introduced to the thermodynamics of DNA, proteins, polymers and surfaces. It includes over 80 detailed...

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information ...

Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems.Following a general introduction to the tools and concepts in structural chemistry, the foll...

Many books explain the theory of atomistic computer simulations; this book teaches you how to run themThis introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the...

Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better ...

This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. - Provides tools to develop skills in developing simulations programs - Includes sample simulation programs for the reader to use - Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

Examines the intersection of quantum information and chemical physicsThe Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics.Thi...

It has been recognised recently that the strange features of the quantum world could be used for new information transmission or processing functions such as quantum cryptography or, more ambitiously, quantum computing. These fascinating perspectives renewed the interest in fundamental quantum properties and lead to important theoretical advances, such as quantum algorithms and quantum error correction codes. On the experimental side, remarkable advances have been achieved in quantum optic...

This book is a physical chemistry textbook that presents the essentials of physical chemistry as a logical sequence from its most modest beginning to contemporary research topics. Many books currently on the market focus on the problem sets with a cursory treatment of the conceptual background and theoretical material, whereas this book is concerned only with the conceptual development of the subject. Comprised of 19 chapters, the book will address ideal gas laws, real gases, the thermodyn...