Homework 3
Date | Lecture Topic | Assignment | Due date, 6am, next day |
29 Oct, Tue |
Recitation 0 and 1 |
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30 Nov, Wed |
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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 |
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06 Nov, Wed |
Python tools for CMS (DA) Lab 1 practice |
Recitation PT |
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08 Nov, Fri |
Recitation 8 CMD |
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12 Nov, Tue |
Lab 1 presentations Lab 2 for molecules practice |
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Lab 1 |
13 Nov, Wed |
Lab 2 for solids practice |
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15 Nov, Fri |
11:35 Fire training Homework 2 discussion Lab 2 practice |
Recitation 2 HF
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19 Nov, Tue |
Density functional theory (SL) Computational chemistry of molecules: part 2 (DA) Lab 2 practice |
Recitation 3 DFT
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Homework 2 |
20 Nov, Wed | Lab 3 | ||
22 Nov, Fri |
Lab 2 presentation Lab 3 practice |
Lab 2 |
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26 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
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27 Nov, Wed |
Excited states and dynamics (AG)
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Recitation 4 ES
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29 Nov, Fri |
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Homework 3 |
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03 Dec, Tue |
Machine learning potentials (AS) Lab 3 presentation by students (5-10 min)
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Lab 3 |
04 Dec, Wed |
Lab 4 practice |
Start actively working on final project |
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06 Dec, Fri |
Modeling of Defects (DA) Lab 4 practice Advisory on final projects |
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Homework 3 |
10 Dec, Tue |
Structure prediction (AK) Lab 4 presentation by students Advisory on final projects |
Prepare for final exam | Lab 4
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11 Dec, Wed |
Advisory on final projects
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Send article for final exam |
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13 Dec, Fri |
Advisory on final projects |
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17 Dec, Tue |
Final Exam (send article in advance by email) Advisory on final projects |
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18 Dec, Wed |
Advisory on final projects Presentation of final projects |
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20 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