Lecture Notes CHEM 430b/530b
Statistical Methods and Thermodynamics
Prerequisites: CHEM 130 or 330 or 332, or equivalents
Instructor: Prof. Victor S. Batista
Room: SCL 18         Schedule: MWF 9.00-10.20

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Introduction

 

(Chapter 3) January 14-30	Pure States Statistical Mixture of States Density Operator Time-Evolution of Ensembles Classical Analogue Entropy Maximum-Entropy Density Operator Internal Energy and Helmholtz Free Energy Temperature Canonical and Microcanonical Ensembles Equivalency of Ensembles Example Thermal Fluctuations Grand Canonical Ensemble Density Fluctuations Example Quiz 1 Postulates of Statistical Mechanics Example: Ensemble Averages <>Practice Exam Exam 1
(Chapter 4) Febr. 1-22 FIRST EXAM February 1st February 15, 22 don't meet February 11, 13, 18, 20 meet at 9:00am	Bose-Einstein and Fermi-Dirac Distributions Classical limit of Quantum Statistical Distributions Example 1: Ideal Gas of Structureless Quantum Particles Example 2: Dilute Gas of Diatomic Molecules Example 3: Phonons in a Solid Lattice Einstein Model Debye Model Example 4: Electrons in Metals Continuous Approximation Joint Probabilities Chemical Equilibrium Minimum Energy Principle Practice Exam 2 Practice Quiz 2
(Chapter 5) Febr. 25- March 7 February 25 don't meet February 27, 29 meet at 9:00am SECOND EXAM March 7 Spring Break March 10-21	Ising Model Lattice Gas Mean Field Theory Variational Mean Field Theory Renormalization Group Theory
(Chapter 6) March 24-April 4	Metropolis Monte Carlo Method Variance-Reducing Techniques Importance Sampling Correlated Sampling Control Variates Stratified Sampling Simulated Annealing Practice Exam 3 Kinetic Monte Carlo
(Chapter 7) April 7-18 THIRD EXAM   April 7 DEADLINE COMPUTER ASSIGNMENTS  April 18	Classical Fluids Radial Distribution Function Reversible Work Theorem Thermodynamic Properties of Fluids Solvation Free Energy Quiz 3 April 18: Computer assignments deadline
(Chapter 8) April 21-28 COMPREHENSIVE MAKEUP EXAM   May 9	Lars Onsager's Regression Hypothesis Response Function: Generalized Susceptibility Linear Spectroscopy Langevin Equation Velocity Verlet Algorithm Path Integrals SOFT Method MP/SOFT Method Practice Makeup Exam