Class Schedule for Chem. 860 (Fall 2006-2007)
Lecture No.	Date		Topic	Lecture File(s)	HomeWork
1	Sept. 6	W	Basic Intro	lecture ppt
2	Sept. 8	F	Molecular Force Field	lecture ppt	HW1; Files
3	Sept. 13	W	Molecular Dynamics I.	lecture ppt
4	Sept. 15	F	Molecular Dynamics II.	lecture ppt	Notes and HW2; files
5	Sept. 20	W	Molecular Dynamics III.	lecture ppt; lecture pdf
6	Sept. 22	F	Molecular Dynamics IV.	lecture ppt; lecture pdf	HW3; files
7	Sept. 27	W	Principal Component Analysis
8	Sept. 29	F	Additional CHARMM examples
9	Oct. 2	M	Time Correlation Function	lecture ppt; lecture pdf	HW4; files
10	Oct. 4	W	Umbrella Sampling	lecture ppt; lecture pdf
11	Oct. 11	W	Free energy perturbation
12	Oct. 13	F	Thermodynamic Integration	lecture ppt	HW5; files
13	Oct. 16	M	Ensembles in MD	lecture pdf
14	Oct. 18	W	Basic Monte Carlo	lecture pdf
15	Oct. 25	W	Advanced Monte Carlo I.	lecture ppt
16	Oct. 27	F	Advanced Monte Carlo II; MTS	lecture ppt	HW6; files
17	Nov. 1	W	Long-range electrostatics	lecture ppt
18	Nov. 3	F	Derivation of Ewald	lecture note
19	Nov. 8	W	Implicit Solvation I.
20	Nov. 10	F	Implicit Solvation II.	lecture ppt	HW7; files
21	Nov. 15	W	pKa calculations	lecture ppt
22	Nov. 17	F	Langevin/Brownian Dynamics	lecture ppt
23	Nov. 22	W	Transition paths I. MEP	lecture ppt
24	Nov. 29	W	Transition paths II. TS ensemble	lecture ppt
25	Dec. 1	F	Transition paths III. TPS	lecture ppt
26	Dec. 6	W	QM/MM and CPMD	lecture ppt
27	Dec. 8	F	QM/MM calculations II.	lecture ppt
28	Dec. 11	M	Rate calculations	lecture ppt
29	Dec. 13	W	Presentation
30	Dec. 15	F	Presentation
31	Dec. 18	M	Presentation
32	Dec. 20	W	Presentation