Ron Levy group

Exploring
molecular
landscapes

Statistical Thermodynamics

Chemistry 5302

Fall 2014

Time and Location:

  • 5:30PM, Bio-Life 432

Contacts:

Syllabus:

  • pdf
  • MQ = Donald McQuarrie, "Statistical Mechanics" (Harper Collins 1976)
  • KD = Ken Dill and Sarina Bromberg, "Molecular Driving Forces" (Garland Science 2nd ed, 2011)

I. Equilibrium

Date Topic Lecture Slides
1. 8/25 Thermodynamics review - MQ Chapter 1 pdf ppt
2. TBA Canonical ensemble - MQ Chapter 2 pdf ppt
Problem Set 1 pdf
Problem Set 1 Solutions pdf
3. TBA Fluctuations and other ensembles - MQ Chapter 3 pdf ppt
Problem Set 2 pdf
Problem Set 2 Solutions pdf
4. TBA Classical statistical mechanics - MQ Chapter 7 pdf ppt
Problem Set 3 pdf
Problem Set 3 Solutions pdf
5. TBA Ideal Gas - MQ Chapter 5 pdf ppt
6. TBA Imperfect gases - MQ Chapter 12 pdf ppt
7. TBA Liquids - MQ Chapter 13 pdf ppt
8. TBA Chemical Equilibria - MQ Chapter 9, KD Chapter 13 pdf ppt
9. TBA Binding Equilibria - Notes pdf ppt
10. TBA Ionic Solutions and Debye-Huckel Theory - MQ Chapter 15 pdf ppt


II. Computational Methods

Date Topic Lecture Slides
11. TBA Intermolecular interactions, potential energy functions - Notes pdf ppt
12. TBA Solvation Models - Notes pdf ppt
13. TBA Simulation Methods (MD, MC) - Notes pdf ppt
14. TBA Advanced conformational sampling - Notes pdf ppt


III. Computer Labs with Lectures

Date Topic Lecture Slides
15. TBA Introduction to Maestro and Impact pdf
16. TBA Lab 1 - Water pdf
17. TBA Kinetics and Markov State Models pdf ppt
18. TBA Lab 2 - Protein Folding pdf
19. TBA Free Energy calculations - Notes pdf ppt mpeg
20. TBA Lab 3 - Binding I pdf data