Timeline for CCMM

Homework 3

Date	Lecture Topic	Assignment	Due date, 6am, next day
31 Oct, Tue	Introduction Basics of quantum chemistry (DA)	Recitation 0 and 1 Homework 1
01 Nov, Wed	Computational chemistry of molecules: part 1 (DA) Semi-empirical methods	Recitation 5 CCM
03 Nov, Fri	Pitching of students' research projects Lab 1 explained	Lab 1	Homework 1
07 Nov, Tue	Lab 1 practice
08 Nov, Wed	Python tools for CMS (DA) Lab 1 practice	Recitation PT Homework 2
10 Nov, Fri	Classical molecular dynamics (AK)	Recitation 8 CMD Lab 2
14 Nov, Tue	Lab 1 presentations Lab 2 explained Lab 2 for molecules practice		Lab 1
15 Nov, Wed	Lab 2 for solids practice
17 Nov, Fri	Hartree-Fock and post-HF (SL) Homework 2 discussion Lab 2 practice	Recitation 2 HF
21 Nov, Tue	Density functional theory (SL) Computational chemistry of molecules: part 2 (DA) Lab 2 practice	Recitation 3 DFT	Homework 2
22 Nov, Wed	Lab 3 explained	Lab 3
24 Nov, Fri	Lab 2 presentation Lab 3 practice		Lab 2
28 Nov, Tue	Computational chemistry of crystals: part 1 (DA) Computational chemistry of crystals: part 2 (DA) Project proposal (soft deadline)	Recitation 6 CCC	Project proposal soft
29 Nov, Wed	Excited states and dynamics (AG)	Recitation 4 ES
01 Dec, Fri	Materials data science (SL)	Homework 3	Project proposal hard
05 Dec, Tue	Lab 3 presentation by students (5-10 min) Lab 4 explained	Lab 4	Lab 3
06 Dec, Wed	Lab 4 practice	Start actively working on final project
08 Dec, Fri	Modeling of Defects (DA) Lab 4 practice Advisory on final projects		Homework 3
12 Dec, Tue	Machine learning potentials (AS) Lab 4 presentation by students Advisory on final projects	Prepare for final exam	Lab 4
13 Dec, Wed	Advisory on final projects		Send article for final exam
15 Dec, Fri	Structure prediction (AK) Advisory on final projects
19 Dec, Tue	Final Exam (send article in advance by email) Advisory on final projects
20 Dec, Wed	Advisory on final projects Presentation of final projects
22 Dec, Fri	Presentation of final projects Writing of final project reports		Final project presentation and report

***Optional lecture for homework studies, see slides and read books