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Cover: 9780521835275 | Simulating the Physical World | Herman Berendsen | Buch | Englisch
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Simulating the Physical World
Hierarchical Modeling from Quantum Mechanics to Fluid Dynamics
Buch von Herman Berendsen
Sprache: Englisch

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Beschreibung
The simulation of physical systems requires a simplified, hierarchical approach which models each level from the atomistic to the macroscopic scale. From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to its applications giving the reader insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. With a strong emphasis on molecular models in chemistry and biochemistry, this book will be suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics, biophysics, physical chemistry and materials science. It will also be a useful reference to all those working in the field. Additional resources for this title including solutions for instructors and programs are available online at [...]
The simulation of physical systems requires a simplified, hierarchical approach which models each level from the atomistic to the macroscopic scale. From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to its applications giving the reader insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. With a strong emphasis on molecular models in chemistry and biochemistry, this book will be suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics, biophysics, physical chemistry and materials science. It will also be a useful reference to all those working in the field. Additional resources for this title including solutions for instructors and programs are available online at [...]
Über den Autor
Herman J. C. Berendsen is Emeritus Professor of Physical Chemistry at the University of Groningen. His research focuses on biomolecular modeling and computer simulations of complex systems. He has taught hierarchical modeling worldwide and is highly regarded in this field.
Zusammenfassung
From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to its applications providing insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. Suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics, biophysics, physical chemistry and materials science. It is also a reference for practitioners. Resources available at [...]
Inhaltsverzeichnis
Preface; Symbols, units and constants; 1. Introduction; 2. Quantum mechanics: principles; 3. From quantum to classical; 4. Quantum chemistry; 5. Mixed quantum/classical dynamics; 6. Quantum Corrections; 7. Molecular dynamics; 8. Free energy, entropy and potential of mean force; 9. Sampling phase space; 10. Stochastic dynamics; 11. Coarse-Graining; 12. Dissipative particle dynamics; Topic 1. Fourier transforms; Topic 2. Electromagnetism; Topic 3. Vectors, operators and vector spaces; Topic 4. Mechanics; Topic 5. Review of thermodynamics; Topic 6. Review of statistical mechanics; Topic 7. Linear response theory; Topic 8. Splines; References; Index.
Details
Erscheinungsjahr: 2012
Fachbereich: Physikalische Chemie
Genre: Chemie
Rubrik: Naturwissenschaften & Technik
Medium: Buch
Seiten: 626
ISBN-13: 9780521835275
ISBN-10: 0521835275
Sprache: Englisch
Ausstattung / Beilage: HC gerader Rücken kaschiert
Einband: Gebunden
Autor: Berendsen, Herman
Hersteller: Cambridge University Press
Maße: 250 x 175 x 38 mm
Von/Mit: Herman Berendsen
Erscheinungsdatum: 18.01.2012
Gewicht: 1,245 kg
preigu-id: 102373101
Über den Autor
Herman J. C. Berendsen is Emeritus Professor of Physical Chemistry at the University of Groningen. His research focuses on biomolecular modeling and computer simulations of complex systems. He has taught hierarchical modeling worldwide and is highly regarded in this field.
Zusammenfassung
From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to its applications providing insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. Suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics, biophysics, physical chemistry and materials science. It is also a reference for practitioners. Resources available at [...]
Inhaltsverzeichnis
Preface; Symbols, units and constants; 1. Introduction; 2. Quantum mechanics: principles; 3. From quantum to classical; 4. Quantum chemistry; 5. Mixed quantum/classical dynamics; 6. Quantum Corrections; 7. Molecular dynamics; 8. Free energy, entropy and potential of mean force; 9. Sampling phase space; 10. Stochastic dynamics; 11. Coarse-Graining; 12. Dissipative particle dynamics; Topic 1. Fourier transforms; Topic 2. Electromagnetism; Topic 3. Vectors, operators and vector spaces; Topic 4. Mechanics; Topic 5. Review of thermodynamics; Topic 6. Review of statistical mechanics; Topic 7. Linear response theory; Topic 8. Splines; References; Index.
Details
Erscheinungsjahr: 2012
Fachbereich: Physikalische Chemie
Genre: Chemie
Rubrik: Naturwissenschaften & Technik
Medium: Buch
Seiten: 626
ISBN-13: 9780521835275
ISBN-10: 0521835275
Sprache: Englisch
Ausstattung / Beilage: HC gerader Rücken kaschiert
Einband: Gebunden
Autor: Berendsen, Herman
Hersteller: Cambridge University Press
Maße: 250 x 175 x 38 mm
Von/Mit: Herman Berendsen
Erscheinungsdatum: 18.01.2012
Gewicht: 1,245 kg
preigu-id: 102373101
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