| Date | Lecture Topic | Assignment | Due date, 6am, next day |
| 28 Oct, Tue |
Recitation 0 and 1 |
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| 29 Oct, Wed |
|
Lab 1 | |
| 31 Oct, Fri |
Pitching of students' research projects |
Recitation 5 CCM |
Homework 1 |
| 04 Nov, Tue |
Holiday - Lab 1 practice |
|
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| 05 Nov, Wed |
Python tools for CMS (DA) Lab 1 practice |
Recitation PT |
|
| 07 Nov, Fri |
Lab 1 practice Lab 1 presentations |
|
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| 11 Nov, Tue |
Classical molecular dynamics (AK) Lab 1 presentations |
Recitation 8 CMD
|
Lab 1 |
| 12 Nov, Wed |
Lab 2 for molecules |
Lab 2 | |
| 14 Nov, Fri |
Lab 2 practice |
Recitation 2 HF
|
|
| 18 Nov, Tue |
Density functional theory (SL) Lab 2 practice |
Recitation 3 DFT
|
Homework 2 |
| 19 Nov, Wed |
Computational chemistry of molecules: part 2 (DA) Lab 2 practice |
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| 21 Nov, Fri |
Lab 3 practice |
Lab 3 |
|
| 25 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
|
| 26 Nov, Wed |
Lab 3 practice |
|
|
| 28 Nov, Fri |
Lab 3 practice |
Homework 3 |
|
| 02 Dec, Tue |
Structure prediction (AK) Lab 3 practice |
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| 03 Dec, Wed |
Machine learning potentials (AS) Lab 3 presentation by students (5-10 min) |
Start actively working on final project |
Lab 3 |
| 05 Dec, Fri |
Modeling of Defects (link to presentation) Lab 4 practice Advisory on final projects |
|
Homework 3 |
| 9 Dec, Tue |
Lab 4 practice Advisory on final projects |
Prepare for final exam |
|
| 10 Dec, Wed |
Lab 4 presentation by students Advisory on final projects |
Lab 4 Send article for final exam |
|
| 12 Dec, Fri |
Excited states and dynamics (AG) Advisory on final projects |
Recitation 4 ES | |
| 16 Dec, Tue |
Final Exam (send article in advance by email) Advisory on final projects |
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| 17 Dec, Wed |
Advisory on final projects Presentation of final projects |
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| 19 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