Homework 3
| Date | Lecture Topic | Assignment | Due date, 6am, next day |
| 31 Oct, Tue |
Recitation 0 and 1 |
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| 01 Nov, Wed |
Computational chemistry of molecules: part 1 (DA) Semi-empirical methods
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Recitation 5 CCM | |
| 03 Nov, Fri |
Pitching of students' research projects |
|
Homework 1 |
| 07 Nov, Tue |
Lab 1 practice |
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| 08 Nov, Wed |
Python tools for CMS (DA) Lab 1 practice |
Recitation PT |
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| 10 Nov, Fri |
Recitation 8 CMD |
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| 14 Nov, Tue |
Lab 1 presentations Lab 2 for molecules practice |
|
Lab 1 |
| 15 Nov, Wed |
Lab 2 for solids practice |
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| 17 Nov, Fri |
Homework 2 discussion Lab 2 practice |
Recitation 2 HF
|
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| 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 | ||
| 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
|
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| 01 Dec, Fri |
|
Homework 3 |
Project proposal hard
|
| 05 Dec, Tue |
Lab 3 presentation by students (5-10 min)
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Lab 3 | |
| 06 Dec, Wed |
Lab 4 practice |
Start actively working on final project |
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| 08 Dec, Fri |
Modeling of Defects (DA) Lab 4 practice Advisory on final projects |
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Homework 3 |
| 12 Dec, Tue |
Lab 4 presentation by students Advisory on final projects |
Prepare for final exam | Lab 4
|
| 13 Dec, Wed |
Machine learning potentials (AS) Lab 4 practice Advisory on final projects
|
Send article for final exam |
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| 15 Dec, Fri |
Structure prediction (AK)
Advisory on final projects |
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| 19 Dec, Tue |
Final Exam (send article in advance by email) Advisory on final projects |
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| 20 Dec, Wed |
Advisory on final projects Presentation of final projects |
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| 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