Final Review
In this week, we focus the review on the main course content that supports the final examination.
Slides¶
Lecture Video¶
This lecture has been recorded using Zoom. You need to use your NUS email to login. Please access the Zoom recording use the links below:
Recording (Passcode: g?^6peqx)
Final Examination¶
2 hrs, closed book, no calculator, no internet, 1 page of handwritten cheat sheet (A4, both sides) allowed
8 questions (each 5 marks), focus on understanding, domain knowledge, and application
No hand written coding tasks (no need to remember syntax & API etc.), but you might be asked to read and explain the code snippets
Following contents will not be assessed (they’re marked as Reading Material in course website)
Orientation
Programming: AI tools for code development
Computer and Computation: history; HPC, Cloud, and Other Computers
Structures: advanced structure-manipulation workflows in pymatgen; how to use VESTA
High-throughput simulation: codes
Machine Learning I
Machine Learning II
Machine learning potentials
Review Blocks¶
Review Flow¶
| Block | Course chapters | Main focus |
|---|---|---|
| Foundations | Programming; Computer and Computation | Python and NumPy reasoning, plotting, git and GitHub logic, computing concepts |
| Data and Structures | Database; Structures | Queries and joins, materials data, structure language, symmetry, defects, interfaces, file formats |
| Models and Theories | Models and Theories I; Models and Theories II | Force fields, DFT, ensembles, MD, MC, KMC, modelling choices |
| Optimization | Optimization | Energy landscapes, local and global methods, convergence, algorithm choice |
| High-Throughput Simulation | High-Throughput Simulation | Workflow logic, automation, thermodynamics, convex hull reasoning |