CCMM Timeline

Homework 3

Date	Lecture Topic	Assignment	Due date, 6am, next day
29 Oct, Tue	Introduction Basics of quantum chemistry (DA)	Recitation 0 and 1 Homework 1
30 Nov, Wed	Lab 1 explained	Lab 1
01 Nov, Fri	Pitching of students' research projects Computational chemistry of molecules: part 1 (DA) Semi-empirical methods	Recitation 5 CCM	Homework 1
05 Nov, Tue	Lab 1 practice
06 Nov, Wed	Python tools for CMS (DA) Lab 1 practice	Recitation PT Homework 2
08 Nov, Fri	Classical molecular dynamics (AK)	Recitation 8 CMD Lab 2
12 Nov, Tue	Lab 1 presentations Lab 2 explained Lab 2 for molecules practice		Lab 1
13 Nov, Wed	Lab 2 for solids practice
15 Nov, Fri	11:35 Fire training Hartree-Fock and post-HF (SL) Homework 2 discussion Lab 2 practice	Recitation 2 HF
19 Nov, Tue	Density functional theory (SL) Lab 2 practice	Recitation 3 DFT	Homework 2
20 Nov, Wed	Computational chemistry of molecules: part 2 (DA) Lab 2 practice
22 Nov, Fri	Lab 3 explained Lab 3 practice	Lab 3
26 Nov, Tue	Lab 2 presentation Computational chemistry of crystals: part 1+2 (DA) Project proposal (soft deadline)	Recitation 6 CCC	Lab 2 Project proposal soft
27 Nov, Wed	Excited states and dynamics (AG) Lab 3 practice	Recitation 4 ES
29 Nov, Fri	Materials data science (SL) Lab 3 practice	Homework 3	Project proposal hard
03 Dec, Tue	Machine learning potentials (AS) Lab 3 practice
04 Dec, Wed	Lab 3 presentation by students (5-10 min) Lab 4 explained Lab 4 practice	Lab 4 Start actively working on final project	Lab 3
06 Dec, Fri	Modeling of Defects (DA) Lab 4 practice Advisory on final projects		Homework 3
10 Dec, Tue	Structure prediction (AK) Advisory on final projects	Prepare for final exam
11 Dec, Wed	Lab 4 presentation by students Advisory on final projects		Lab 4 Send article for final exam
12 Dec, Thu 16:00-18:00	Monte-Carlo, Krasavin, A.V.
13 Dec, Fri	Advisory on final projects
17 Dec, Tue	Final Exam (send article in advance by email) Advisory on final projects
18 Dec, Wed	Advisory on final projects Presentation of final projects
20 Dec, Fri	Presentation of final projects Writing of final project reports		Final project presentation and report

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