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Chemistry 544 - Introduction To Statistical Mechanics: Syllabus Fall 2013 - Instructor: Zaida (Zan) Luthey-Schulten

This document outlines the syllabus for a statistical mechanics course taught in the fall of 2013. The course is divided into three sections: [1] a review of classical thermodynamics, probability theory, and classical mechanics; [2] principles and applications of equilibrium statistical mechanics including ensembles, partition functions, and phase transitions; [3] an introduction to non-equilibrium statistical mechanics including Brownian motion, time-correlation functions, and chemical master equations. The course includes weekly homework, two exams, and recommended textbooks.

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91 views

Chemistry 544 - Introduction To Statistical Mechanics: Syllabus Fall 2013 - Instructor: Zaida (Zan) Luthey-Schulten

This document outlines the syllabus for a statistical mechanics course taught in the fall of 2013. The course is divided into three sections: [1] a review of classical thermodynamics, probability theory, and classical mechanics; [2] principles and applications of equilibrium statistical mechanics including ensembles, partition functions, and phase transitions; [3] an introduction to non-equilibrium statistical mechanics including Brownian motion, time-correlation functions, and chemical master equations. The course includes weekly homework, two exams, and recommended textbooks.

Uploaded by

Sepehr Sa
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Chemistry 544 Introduction to Statistical Mechanics

Syllabus Fall 2013 Instructor: Zaida (Zan) Luthey-Schulten

I. Review of Classical Thermodynamics, Probability Theory, Classical Mechanics (Callen,


Notes, McQuarrie) Make-up classes in weeks Sept.2, 9, 23

1. Max Entropy Postulates - Principles of Classical Equilibrium Thermodynamics


2. Conditions of Equilibrium, Formal Relationships, Simple Systems (vd Gas, Rubber Band)
3. Other Thermodynamic Potentials from Alternate Formulations and Legendre Transformations
4. Stability of Thermodynamic Systems Response Functions and Simple Phase Transitions
5. Review of Probability Theory Central Limit Theorem, Probability Densities
6. Review of Newtonian, Lagrangian, and Hamiltonian equations of motion, MB distributions

Hour Exam 1 October 2, 2012

II. Principles and Applications of Equilibrium Statistical Mechanics (Notes, McQuarrie, Pathria,
Widom)

7. Microcanonical Ensembles (E,V,N ) Counting of States, Density of States


8. Canonical Ensembles (T,V,N) Partition Functions/Probabilities for Ideal Gases & Solids,
Applications to Chemical Equilibrium, Theory of Fluctuations
9. Classical Statistical Mechanics Formulation, Equipartition and Virial Theorems, Liouville Equation
10. Grand Canonical Ensemble, Quantum Statistics and Quantum (FE & BE) Ideal Gases, Density
Matrix
11. Non-ideal gases and virial expansion
12. Statistical Thermodynamics of Liquids and Biopolymers Radial Distribution Function and
Potentials of Mean Force, Debye-Hueckel Theory
13. Numerical Statistical Mechanics Techniques Monte Carlo and Molecular Dynamics Simulations,
Multiple Histogramming Techniques
14. Statistical Mechanical Theory of Phase Transitions Ising Model

Hour Exam 2 - November 22, 2012

III. Introduction to Non-Equilibrium Statistical Mechanics (Notes, Chandler, McQuarrie)

15. Theory of Brownian Motion Langevin and Fokker Planck Equations, Fluctuation-
Dissipation Theorem
16. Time-Correlation Functions
17. Chemical Master Equation Reaction-Diffusion Master Equations

Recommended Textbooks: Thermodynamics by H. Callen, Statistical Mechanics by D.


McQuarrie, Introduction to Modern Statistical Mechanics D. Chandler, Statistical Mechanics
by R. K. Pathria, Statistical Mechanics: Concise Introduction for Chemists by B. Widom

Weekly HW: Solutions, Notes Handouts on class website

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