Lecture Notes

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Statistical Thermodynamics and Kinetics (CCB 425/525), Spring, 2019

  1. Course syllabus.

  2. Notes on thermodynamics, from J.C. Slater, Introduction to Chemical Physics, chapters 1-3.

  3. Entropy and the Boltzmann distribution.

  4. Homework #1, due in class, Feb. 4: Problems 1.15, 5.1, 5.6 and 6.2.

  5. Build-up procedure for partition functions, by Herschbach, Johnston and Rapp.

  6. Homework #2, due in class, Feb. 11: Problems 10.7, 10.18, 11.6 and 11.16.

  7. Getting free energies from simulation.

  8. Proton binding to proteins: pKa calculations with explicit and implicit solvent models, by Simonson, Carlsson and Case.

  9. Notes on molecular dynamics and force fields..

  10. Homework #3, due in class on February 25.



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Updated on February 18, 2019. Comments to case@biomaps.rutgers.edu