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to Chemistry

**Instructor: Dr. Madhav Ranaganathan
**

Office: SL 302

Tel: 6037

Email: madhavr@iitk.ac.in

Lectures: M 1415-1530 Th 1400-1515 FB 426

Course description: Thermodynamics, Statistical Mechanics of noninteracting systems, interacting systems, and nonequilibrium systems

Course Details

1. Equilibrium Thermodynamics: Thermodynamic Equilibrium state, laws of

thermodynamics, axiomatic formulation of thermodynamics, thermodynamic potentials, stability criteria, phase equilibria (4 lectures)

2. Ensembles in Statistical Mechanics: Ensemble postulate and ergodicity, microcanonical, canonical and grand canonical ensembles, quantum and classical

partition functions, phase space, fluctuations (6 lectures)

3. Noninteracting systems: Factorization of the partition function, quantum correlations, collective modes, occupation numbers, collections of fermions, bosons,

photons, classical deal gas of spinless particles, molecular partition functions, ideal

paramagnets. (6 lectures)

4. Interacting Systems 1: Classical Liquids Interparticle potentials, Configurational Partition functions, distributions, pair correlation function, neutron scattering experiments, Virial equation, Meyer cluster diagrams (6 lectures)

5. Interacting Systems 2: Computer Simulations Ensemble averages, ergodicity, random numbers, Monte Carlo methods, Molecular Dynamics, constant temperature MD. (5 lectures)

6. Interacting Systems 3: Phase Transitions in Lattice models Lattice gas,

Ising Model, order parameter, Mean Field theory, Renormalization group theory

(6 lectures)

7. Nonequilibrium Statistical Mechanics (6 lectures) Linear Response theory,

fluctuation dissipation theorem, time correlation functions, applications to transport phenomena.

David Chandler. Statistical Mechanics: A concise introduction for chemists Internet Resources: There are many online resources.mathworks. Benjamin Widom. You have to score minimum 40 points out of 100 to pass the course. http://ocw.html: Prof Mark E. etc. 1.mit. 2. You can download the entire book online. http:/www. I will be basing a large part of my teaching from the first two references below.A. mathematical manipulations. Homework Assignments: (50 points total) : These will consist of 5 assignments. K.ch/education/lectures hs11/StatPhys : Prof Manfred Sigrist’s course on Statistical Physics.L. He is an excellent teacher and has also authored a very good book in Statistical Mechanics. Statistical Mechanics 4. You are encouraged to search on the internet. McQuarrie.cornell. but there is no guarantee that they provide the correct information.com/mathematica : This is the homepage of the software and programming language Mathematica. This is really the most important part of the course. http://www. The grades will be given based on average(A) and standard deviations(σ) from average. Complete with notes. 5.mech/index. Statistical Mechanics: Entropy. Final Exam : (30 points): In-class 3 hour exam Letter Grades: Letter grades will be awarded based on the total points out of 100. http://www.wolfram. 1.ethz. Some resources that might be useful are given below. http://pages. exercises and downloadable programs. Order and Complexity. Very interesting to see a modern view of statistical mechanics. Grading System 1.edu/: This is the MIT open course ware. links. Tuckerman’s lecture notes. http://www. anyone above 80 points will automatically get an A grade. Introduction to Modern Statistical Mechanics 3.edu/ sethna/StatMech/: James Sethna’s page on his book. D. However.nyu. Statistical Mechanics 2.physics. It has many good mathematical tips too. Mid Semester : (20 points): In-class 2 hour exam 3. 4.itp. 2.com/MATLAB: Another mathematical software and an associated programming language.phys.Books: There is no text book for this course. 3.edu/classes/tuckerman/stat. Lots of exercises. 6. Huang. . These will take a considerable amount of time and will involve a lot of reading and some programming.

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- Notes 1Uploaded byEmad Sheikh

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