CH504: Computational Chemistry
~ By Valay A
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During which semester & year you took the course ?
Spring Semester 2017-18
Prof. Raghavan B Sunoj, Prof. Y. U. Sasidhar
What grade was awarded to you?
Course Difficulty (On a scale of 1 to 5)
Comment on the grading done by the professor in your opinion?
What was the Attendance Policy?
Attendance is required.
This Course evaluation comprises of
Around 50% Labs, 30% endsem theory, 20% endsem lab
What are the topics covered in the course?
Theory and Labs regarding the following topics
Running HF (RHF, UHF) on different molecules in different basis sets in Gaussian. Running MD (using different water molecular models, boxes) in GROMACS.
Theory of MD algorithms Velocity-Verlet, Leaping Frog etc.
How were the Lectures/Labs for this course?
Lectures are basically covering ideas that will be covered in labs. Labs are guided, and interesting.
How were the Exams for this course?
How are the Assignments & Projects for this course?
All the ideas are discussed in the lectures. They are short.
Any tips for the junta to perform well in the course?
Attend the lectures! and don’t miss the labs!
References used in this course:
Errol Lewars: Computational Chemistry.