Statistical mechanics :
Tuckerman, Mark E.
Statistical mechanics : theory and molecular simulation / Mark E. Tuckerman. - First Edition - xv, 701 pages : illustrations ; 26 cm. - Oxford graduate texts . - Oxford graduate texts. .
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.
9780198525264 (hbk.) 0198525265 (hbk.)
2010278327
GBA986012 bnb
Statistical mechanics
Thermodynamics
Molecular dynamics
Quantum mechanics
Mecánica estadística
Termodinámica
Dinámica molecular
Mecánica cuántica
QC174.8 / .T83 2010
530.13
Statistical mechanics : theory and molecular simulation / Mark E. Tuckerman. - First Edition - xv, 701 pages : illustrations ; 26 cm. - Oxford graduate texts . - Oxford graduate texts. .
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.
9780198525264 (hbk.) 0198525265 (hbk.)
2010278327
GBA986012 bnb
Statistical mechanics
Thermodynamics
Molecular dynamics
Quantum mechanics
Mecánica estadística
Termodinámica
Dinámica molecular
Mecánica cuántica
QC174.8 / .T83 2010
530.13