| Date | Lecture Topic | Assignment | Due date, 6am |
| 01 Nov, Tue |
Recitation 0 and 1 |
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| 02 Nov, Wed |
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Lab 1 | |
| 04 Nov, Fri | Public holiday | ||
| 08 Nov, Tue |
Pitching of students' research projects Python tools for CMS (DA)
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Homework 2 | Homework 1 |
| 09 Nov, Wed |
Lab 1 practice |
Recitation 2 HF | |
| 11 Nov, Fri | Density functional theory (SL) | Recitation 3 DFT | |
| 15 Nov, Tue |
Computational chemistry of molecules (DA) |
Recitation 5 CCM |
Lab 1 |
| 16 Nov, Wed |
***Excited states and dynamics Lab 2 practice |
***Recitation 4 ES | |
| 18 Nov, Fri |
Computational chemistry of crystals: part 1 (DA) Lab 2 practice |
Recitation 6 CCC |
Homework 2 |
| 22 Nov, Tue |
Classical molecular dynamics (AK) Homework 2 discussion |
Recitation 8 CMD
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| 23 Nov, Wed |
Computational chemistry of crystals: part 2 (DA) Lab 3 explained |
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| 25 Nov, Fri |
Project proposal Lab 2 practice |
Project proposal | |
| 29 Nov, Tue | Lab 3 practice | Lab 2 | |
| 30 Nov, Wed |
Lab 4 for molecules explained Lab 3 practice (30 min) |
Lab 4 | |
| 02 Dec, Fri |
Lab 3 practice (30 mins)
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| 06 Dec, Tue |
Machine learning potentials (AS) Lab 3 practice (1 hour)
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| 07 Dec, Wed |
Lab 1 and Lab 2 presentation by students (5-10 min) Lab 4 for solids explained Lab 3 practice |
Start actively working on final project |
Homework 3 |
| 09 Dec, Fri |
Modeling of Defects (DA) Lab 3 and 4 practice Advisory on final projects |
|
Lab 3 (11 Dec) |
| 13 Dec, Tue |
Lab 4 practice Advisory on final projects |
Prepare for final exam | |
| 14 Dec, Wed |
Structure prediction (AK) Lab 4 practice Advisory on final projects
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Send article for final exam |
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| 16 Dec, Fri |
Lab 3 presentation by students Advisory on final projects |
Lab 4 (18 Dec) | |
| 20 Dec, Tue |
Final Exam (send article in advance by email) Advisory on final projects |
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| 21 Dec, Wed |
Advisory on final projects |
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| 23 Dec, Fri |
Presentation of final projects Writing of final project reports |
Final project |
***Optional lecture for homework studies, see slides and read books
