Here you can download pdf versions of recent lecture notes, and other course
- Course syllabus.
- Notes on thermodynamics, from J.C.
Slater, Introduction to Chemical Physics, chapters 1-3.
- Entropy and the Boltzmann distribution.
- Homework #1, due in class, Feb. 4: Problems 1.15, 5.1, 5.6 and 6.2.
- Build-up procedure for partition
functions, by Herschbach, Johnston and Rapp.
- Homework #2, due in class, Feb. 11: Problems 10.7, 10.18, 11.6 and
- Getting free energies from
- Proton binding to proteins: pKa calculations
with explicit and implicit solvent models, by Simonson, Carlsson and
- Notes on molecular dynamics and force fields.
- Homework #3, due in class on
- Notes on electrostatics and
continuum solvent models.
- Homework #4, due in class, Mar. 4: Problems 20.7, 20.11, 22.6, and
- Review on Generalized Born
- Homework #5, due in class, Mar. 25: Problems 22.2, 23.1, 23.2.
- Instructions for the final
project. (Updated with the presentation schedule.)
- Slides from guest lecture by Mikolai
- Homework #6, due by Monday, April 7: choose a paper for your term
project, as described in the Instructions above. Send an email to
email@example.com with your choice.
- Lecture notes on
- Notes on ligand binding and
- Homework #7, due in class, April 22: Problems 23.13, 23.16, 19.9
- Notes on distance geometry.
- Notes on fitting models to data.
- Notes on Singular Value Decomposition.
(Click "next" to see lecture notes from previous semesters)
Updated on July 5, 2019. Comments to firstname.lastname@example.org