Syllabus
- Year: AY2024/2025 Semester 2
- Instructor: Asst. Prof. Zeyu Deng
- Email: msedz@nus.edu.sg
- L1: Wednesday 12:00 - 15:00 @ LT1 (MLE4217/5219)
- L2: Thursday 09:00 -12:00 @ LT2 (MLE5219)
Goals¶
- Familiarize student with basic knowledge of modern computer architecture and working mechanism
- Stimulate students’ interest in computational materials science and computational modelling
- Familiarize student with knowledge of physical models for computational modelling
- Teach students how to utilize materials informatics to solve real world problems
- Provide students some overview of the cutting edge development of the computational materials science including machine learning potentials
- Provide students basic knowledge to analyze manuscripts containing computational simulations
Organization¶
- Three hours in person lecture per week including instructions and practicals.
- Three assignments (25% * 3) + five quiz (5% * 5)
Grading¶
Grading is based on the assignments and in class quiz. There are no exams.
Textbooks¶
This interactive textbook will serve as the textbook for this course. There is no other required book for the course. Following are some suggested reference works; additional references are provided in lecture.
- Kaxiras, E. Atomic and Electronic Structure of Solids. Cambridge, UK: Cambridge University Press, 2003. ISBN: 9780521523394.
- Frenkel, D., and B. Smit. Understanding Molecular Simulation. 2nd ed. San Diego, CA: Academic Press, 2001. ISBN: 9780122673511.
- Martin, R. Electronic Structure: Basic Theory and Practical Methods. Cambridge, UK: Cambridge University Press, 2004. ISBN: 9780521782852.
- Phillips, R. Crystals Defects and Microstructures. Cambridge, UK: Cambridge University Press, 2001. ISBN: 9780521793575.
- Thijssen, J. M. Computational Physics. Cambridge, UK: Cambridge University Press, 1999. ISBN: 9780521575881.