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Statistical mechanics : theory and molecular simulation / Mark E. Tuckerman.

Por: Tipo de material: TextoTextoIdioma: Inglés Series Oxford graduate texts | Oxford graduate textsFecha de copyright: Oxford ; New York : Oxford University Press , 2010Edición: First EditionDescripción: xv, 701 pages : illustrations ; 26 cmISBN:
  • 9780198525264 (hbk.)
  • 0198525265 (hbk.)
Tema(s): Clasificación CDD:
  • 530.13 23
Clasificación LoC:
  • QC174.8 .T83 2010
Contenidos parciales:
1 Classical mechanics -- 2 Theoretical foundations of classical statistical mechanics -- 3 The microcanonical ensemble and introduction to molecular dynamics -- 4 The canonical ensemble -- 5 The isobaric ensembles -- 6 The grand canonical ensemble -- 7 Monte Carlo -- 8 Free energy calculations -- 9 Quantum mechanics -- 10 Quantum ensembles and the density matrix -- 11 The quantum ideal gases: Fermi-Dirac and Bose-Einstein statistics -- 12 The Feynman path integral -- 13 Classical time-dependent statistical mechanics -- 14 Quantum time-dependent statistical mechanics -- 15 The Langevin and generalized Langevin equations -- 16 Critical phenomena.
Resumen: Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.
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Tipo de ítem Biblioteca actual Signatura Copia número Estado Fecha de vencimiento Código de barras Reserva de ítems
Colección general Colección general Biblioteca Yachay Tech 530.13 T897s 2010 (Navegar estantería(Abre debajo)) Ej. 1 Disponible 005688
Colección general Colección general Biblioteca Yachay Tech 530.13 T897s 2010 (Navegar estantería(Abre debajo)) Ej. 2 Disponible 005689
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Includes index.

Includes bibliographical references (pages [671]-686).

1 Classical mechanics -- 2 Theoretical foundations of classical statistical mechanics -- 3 The microcanonical ensemble and introduction to molecular dynamics -- 4 The canonical ensemble -- 5 The isobaric ensembles -- 6 The grand canonical ensemble -- 7 Monte Carlo -- 8 Free energy calculations -- 9 Quantum mechanics -- 10 Quantum ensembles and the density matrix -- 11 The quantum ideal gases: Fermi-Dirac and Bose-Einstein statistics -- 12 The Feynman path integral -- 13 Classical time-dependent statistical mechanics -- 14 Quantum time-dependent statistical mechanics -- 15 The Langevin and generalized Langevin equations -- 16 Critical phenomena.

Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.

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