Date | Day | Chapter | Post | Reading Assignment | Topic Discussed |
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14-Jan | Tue | Chapter 1 | 1.1 How To Approach This Book. 1.2 Examples of DFT in Action. 1.3 The Schrödinger Equation. 1.4 Density Functional Theory - From Wavefunctions to Electron Density. 1.5 The Exchange-Correlation Functional. (Read for next class) | Complete survey: this first class survey Powerpoint for class overview and motivating example: 01-14-19 Class overview |
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16-Jan | Thu | Chapter 1 | Experience survey results: 1-16-19 Experience survey results | ||
21-Jan | Tue | Chapter 2 | Read: 2.1 Periodic Structures, Supercells, and Lattice Parameters. 2.2 Face Centered Cubic Materials. 2.3 Hexagonal Close Packed Materials. | ||
23-Jan | Thu | Chapter 2 | Read: 2.4 Crystal Structure Prediction. 2.5 Phase Transformations. Read the exercises to select your first project. | Practiced Cu manual lattice optimization | |
28-Jan | Tue | Chapter 3 | Read Chapter 3.1 and 3.2 before class | Before this class, add your tentative title for post 1 to Google Sheet: Post 1 Google Sheet |
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30-Jan | Thu | Chapter 3 | |||
4-Feb | Tue | Chapter 3 | Read Chapter 3.3, 3.4, and 3.5 before class | ||
6-Feb | Thu | Chapter 4 | P1 Out for Review | Read Chapter 4.1-4.4 before class | |
11-Feb | Tue | Chapter 4 | Read Chapter 4.5-4.10 before class | ||
13-Feb | Thu | Chapter 5 | P1 Review Done | Read Chapter 5.1-5.2 before class | Results of the water calculation can be loaded here. |
18-Feb | Tue | Chapter 5 | Read Chapter 5.3-5.4-5.5 before class. | ||
20-Feb | Thu | Chapter 5 | P1 Published | ||
25-Feb | Tue | Chapter 6 | Read 6.1-6.3 before class | ||
27-Feb | Thu | Chapter 6 | Read 6.4 before class | Enter your topic for Post 2 into this Google Sheet Post 2 Google Sheet | |
3-Mar | Tue | Chapter 7 | Read 6.5-6.6, 7.1 before class | ||
5-Mar | Thu | Chapter 7 | P2 Out for review | ||
10-Mar | Tue | Spring break | Read the remainder of Chapter 7 before class | ||
12-Mar | Thu | Spring break | |||
17-Mar | Tue | Chapter 8 | Read Chapter 8 before class | ||
19-Mar | Thu | Chapter 8 | P2 Review Done | ||
24-Mar | Tue | Chapter 9 | Read Chapter 9 before class | ||
26-Mar | Thu | Chapter 9 | P2 Published | Complete this survey on topics to include during the last month of class: Topic Interest Survey |
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31-Mar | Tue | Chapter 10 | Read Chapter 10.1-10.2 before class | ||
2-Apr | Thu | Chapter 10 | Read Chapter 10.3-10.5 | ||
7-Apr | Tue | Posts/New Topics | Prepare 1 PPT slide giving overview of plans for Post 3 | ||
9-Apr | Thu | Posts/New Topics | |||
14-Apr | Tue | Posts/New Topics | |||
16-Apr | Thu | Posts/New Topics | P3 Out for Review | ||
21-Apr | Tue | Posts/New Topics | |||
23-Apr | Thu | Posts/New Topics | P3 Review Done | ||
28-Apr | Tue | Posts/New Topics | |||
30-Apr | Thu | Posts/New Topics | P3 Published |