"The book introduces the readers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids,with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts …
"The book introduces the readers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids,with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts …
"The book introduces the readers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids,with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts …
This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with t…
This textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic systems into a single, conce…
This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic st…
This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic st…
"This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes--an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic st…
This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic st…
This book addresses the high performance computing of the Discrete Element Model (DEM). It is a comprehensive presentation of parallel implementation of the DEM on three popular parallel computing platforms; the multi-core PC, the GPU computer, and the cluster supercomputer. Fea…
This book addresses the high performance computing of the Discrete Element Model (DEM). It is a comprehensive presentation of parallel implementation of the DEM on three popular parallel computing platforms; the multi-core PC, the GPU computer, and the cluster supercomputer. Fea…
Main description: This work is a needed reference for widely used techniques and methods of computer simulation in physics and other disciplines, such as materials science. The work conveys both: the theoretical foundations of computer simulation as well as applications and "tri…
