Acerca de este libro electrónico
This book presents an authoritative and in-depth treatment of potential energy landscape theory, a powerful analytical approach to describing the atomic and molecular interactions in condensed-matter phenomena. Drawing on the latest developments in the computational modeling of many-body systems, Frank Stillinger applies this approach to a diverse range of substances and systems, including crystals, liquids, glasses and other amorphous solids, polymers, and solvent-suspended biomolecules.
Stillinger focuses on the topography of the multidimensional potential energy hypersurface created when a large number of atoms or molecules simultaneously interact with one another. He explains how the complex landscape topography separates uniquely into individual "basins," each containing a local potential energy minimum or "inherent structure," and he shows how to identify interbasin transition states—saddle points—that reside in shared basin boundaries. Stillinger describes how inherent structures and their basins can be classified and enumerated by depth, curvatures, and other attributes, and how those enumerations lead logically from vastly complicated multidimensional landscapes to properties observed in the real three-dimensional world.
Essential for practitioners and students across a variety of fields, the book illustrates how this approach applies equally to systems whose nuclear motions are intrinsically quantum mechanical or classical, and provides novel strategies for numerical simulation computations directed toward diverse condensed-matter systems.
Stillinger focuses on the topography of the multidimensional potential energy hypersurface created when a large number of atoms or molecules simultaneously interact with one another. He explains how the complex landscape topography separates uniquely into individual "basins," each containing a local potential energy minimum or "inherent structure," and he shows how to identify interbasin transition states—saddle points—that reside in shared basin boundaries. Stillinger describes how inherent structures and their basins can be classified and enumerated by depth, curvatures, and other attributes, and how those enumerations lead logically from vastly complicated multidimensional landscapes to properties observed in the real three-dimensional world.
Essential for practitioners and students across a variety of fields, the book illustrates how this approach applies equally to systems whose nuclear motions are intrinsically quantum mechanical or classical, and provides novel strategies for numerical simulation computations directed toward diverse condensed-matter systems.
Acerca del autor
Frank H. Stillinger is senior scientist in the Department of Chemistry at Princeton University. He is a member of the National Academy of Sciences.
Califica este libro electrónico
Cuéntanos lo que piensas.
Información de lectura
Smartphones y tablets
Instala la app de Google Play Libros para Android y iPad/iPhone. Como se sincroniza de manera automática con tu cuenta, te permite leer en línea o sin conexión en cualquier lugar.
Laptops y computadoras
Para escuchar audiolibros adquiridos en Google Play, usa el navegador web de tu computadora.
Lectores electrónicos y otros dispositivos
Para leer en dispositivos de tinta electrónica, como los lectores de libros electrónicos Kobo, deberás descargar un archivo y transferirlo a tu dispositivo. Sigue las instrucciones detalladas que aparecen en el Centro de ayuda para transferir los archivos a lectores de libros electrónicos compatibles.
