This course introduces learners to elementary programming and numerical methods that are useful to solve problems in chemistry. These methods are useful for understanding molecular structures as well as condensed media such as liquids and solutions. For rapid calculations, the public domain software Scilab is used and applications to several numerical methods relevant to chemistry are discussed. Basic mathematical background is provided wherever necessary. Classical molecular dynamics simulations are performed using the public domain software gromacs. Installation procedures as well explicit calculations are demonstrated. All these calculations can be performed on a personal computer.
Computational Chemistry and Classical Molecular Dynamics
NPTEL and Indian Institute of Technology Bombay via YouTube
Overview
Syllabus
Week 1-Lecture 1.
Week 1-Lecture 2.
Week 1-Lecture 3.
Week 1-Lecture 4.
Week 1-Lecture 5.
Week 2-Lecture 6.
Week 2-Lecture 7.
Week 2-Lecture 8.
Week 2-Lecture 9.
Week 2-Lecture 10.
Week 3-Lecture 11.
Week 3-Lecture 12.
Week 3-Lecture 13.
Week 3-Lecture 14.
Week 3-Lecture 15.
Week 4-Lecture 16.
Week 4-Lecture 17.
Week 4-Lecture 18.
Week 4-Lecture 19.
Week 4-Lecture 20.
Week 5-Lecture 21.
Week 5-Lecture 22.
Week 5-Lecture 23.
Week 5-Lecture 24.
Week 5-Lecture 25.
Week 6-Lecture 26.
Week 6-Lecture 27.
Week 6-Lecture 28.
Week 6-Lecture 29.
Week 6-Lecture 30.
Week 7-Lecture 31.
Week 7-Lecture 32.
Week 7-Lecture 33.
Week 7-Lecture 34.
Week 7-Lecture 35.
Week 8-Lecture 36.
Week 8-Lecture 37.
Week 8-Lecture 38.
Week 8-Lecture 39.
Week 8-Lecture 40.
Week 8-Lecture 41.
Taught by
IIT Bombay July 2018
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Reviews
4.4 rating, based on 7 Class Central reviews
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Pratik KhanalI recently completed the online Computational Chemistry course, and it exceeded my expectations. The course content was meticulously organized, progressing from basics to advanced topics with interactive simulations. Hands-on labs bridged theory and practice effectively.
Instructors fostered engagement through videos offering personalized support that smoothed the learning curve. By course end, I had a solid grasp of computational chemistry's importance and practical applications. This course is a must for anyone seeking in-depth, flexible online learning that truly delivers. -
I recently completed the online Computational Chemistry course, and it exceeded my expectations. The course content was meticulously organized, progressing from basics to advanced topics with interactive simulations. Hands-on labs bridged theory and practice effectively.
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PriyankaOne of the best computational chemistry course I studied.Awesome content very helpful. it is one of the easy course for beginners . -
The course helped to build confidence, Valuable experiences and learning. Overall a very informative training session. Course content got well covered and also demonstrated the concept very well. Thanks for such an informative and concept-clearing training session
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Nice informative
The course helped to build confidence, Valuable experiences and learning. Overall a very informative training session -
Sir
I am working in the field of biophysics and hence wish to learn computational chemistry for structural elucidation of proteins. I found your lecture very useful and I hope I can make more wonders with Gromacs and other open software.
Thanks for the concise explanations...
Yamuna -
WENDJILLA MEDEIROSWonderful!
It's a great course. I recommend that you do. Helps a lot.
It provides a very interesting background on the subject.
