Course Review: CH 504

CH504: Computational Chemistry

~ By Valay A

Disclaimer: The contents of this page are opinions expressed by individual students. The information provided is for guidance purposes. Use the information at your own risk.



During which semester & year you took the course ?

Spring Semester 2017-18

Course Instructor

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?

Fairly easy

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?

Fairly straightforward.

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.

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