SPECIAL TOPIC ON ATOMIC-LEVEL SIMULATIONS

• Course Description

1. Computational materials science – Atomic-level simulation methods 2. Mechanics vs. Thermodynamics vs.Statistical mechanics (Connection betweenquantum mechanics) 3. Monte Carlo simulations 4. Molecular dynamics simulations 5. Potentials 6. Statistical ensembles 7. Parallel computing

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• Course objectives

To be able to develop and use common computational tools for materials research at the atomic level. The skills include:
1. Developing simulation codes and analysis tools
2. Understanding and using pertinent aspect of classical mechanics, thermodynamics and statistical mechanics to solve problems in the research,
3. Becoming proficient in structured Fortran 90/95 programming,
4. Learning basics of parallel programming.

 

• Course website

The related link for NCKU <Link>

 

• Download for Syllabus

The edition for 2014 fall <Link>

The edition for 2015 fall <Link>