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The course introduces modern computational methods standing on quantum mechanics to graduate and senior students. Specifically, the lecture aims at guiding students to understand:
(1) What materials modeling and simulation techniques are (2) How to utilize the methods to predict and design novel energy materials.
To achieve the objectives, the course covers elements of quantum mechanics, statistical mechanics, Monte Carlo simulations etc. In addition to lectures, students will take practices through lab sessions by applying the methodologies to energy materials for fuel cells, batteries and solar cells.
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