Computational Chemistry and Classical Molecular Dynamics

NPTEL and Indian Institute of Technology Bombay via YouTube

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Details

Start learning

Provider

YouTube
Pricing

Free Video
Languages

English
Duration & workload

20 hours
Sessions

On-Demand
Level

Advanced

Found in

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.

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

Reviews

4.5 rating, based on 20 Class Central reviews

Start your review of Computational Chemistry and Classical Molecular Dynamics

Muhammad Shahroz Zafar

good easy to learn i love it and recomonded for researcher and students taught in very easy way easy to get and understand
MOHAMMED FAHAD MOHAMMED ALSULYYI

This course is very helpful for a beginner university student. It explains the basic concepts of computational chemistry and molecular dynamics in a clear and gradual way. The lectures helped me understand topics that were new to me, and the course is useful for building a strong foundation before advanced studies.
Syeda Sanwa Zainab

This course provides a clear and detailed understanding of computational chemistry concepts and molecular dynamics simulations. The instructor explains theoretical foundations and practical aspects with great clarity, and the examples make the subject engaging. It’s an excellent resource for anyone interested in learning simulation techniques, force fields, and molecular modeling using classical dynamics. Highly recommended for students and researchers in chemistry, physics, and materials science.
Mohammed Adnan Mir

This was the one of the best courses I've enjoyed myself engaged in it. Providing links of how fast and interdisciplinary the computational chemistry has become, especially in this 21st century is truly impressive. Thankyou for this.
Armin Tabassum

The Computational Chemistry and Molecular Dynamics course by IIT Bombay was truly impressive. The instructors demonstrated deep expertise and enthusiasm, making even the most complex topics easier to grasp. The practical sessions involving coding an…

The Computational Chemistry and Molecular Dynamics course by IIT Bombay was truly impressive. The instructors demonstrated deep expertise and enthusiasm, making even the most complex topics easier to grasp. The practical sessions involving coding and simulations offered valuable hands-on experience. The curriculum was well-structured and covered a broad range of important concepts. Classroom discussions were thought-provoking and added great value to the learning process. I developed a stronger understanding of molecular behavior and dynamics. The quality of learning materials and the faculty's support were exceptional. I would highly recommend this course to anyone looking to build a solid foundation in computational chemistry and gain real-world skills under expert guidance.
Priyanka
3

One of the best computational chemistry course I studied.Awesome content very helpful. it is one of the easy course for beginners .
Wajid Ali

This course offered a clear and structured introduction to computational chemistry and molecular dynamics. It effectively combined theoretical foundations with practical training using tools like GROMACS and VMD. Core concepts such as force fields, energy minimization, and simulation workflows were well explained. The hands-on sessions were especially valuable for applying learned techniques to real molecular systems. Overall, a well-designed course suitable for students and researchers entering the field.
Eleazer Mungwini

It was quite an amazing experience learning computational chemistry and molecular design. I really appreciate the helpful content and skill I have aquired from partaking this course here.
Ata Ur Rahman

Very good and excellent course with comprehensive explanation on ever topic including programming language and computational techniques.
Mrunali Chavan

Sure! Here's a nice review for a course in a more conversational tone:

"This course was absolutely fantastic! The content was well-organized, and the explanations were clear and easy to understand. The instructor did a great job of breaking down complex topics into simple steps. I also loved the practical examples and exercises, which made learning more interactive and fun. Overall, it's a highly valuable course for anyone looking to build their skills. I would definitely recommend it!"
Pratik Khanal
1

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.

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.
Sundas

"I recently completed an introductory course in computational chemistry offered online, and I found it to be an enlightening and enriching experience. The course content was well-structured, offering a comprehensive overview of the fundamental concepts and tools used in computational chemistry. The lectures were clear and informative, providing both theoretical knowledge and practical applications. The assignments were challenging yet rewarding, and helped to consolidate my understanding of the material. The instructors were knowledgeable and responsive, always ready to clarify doubts and provide guidance. Overall, this course is an excellent starting point for anyone interested in the field of computational chemistry."
Muhammad Kamran Shehzad

It was a very effective and informative course and I learnt a lot about computational chemistry from this.
Ayushi Rastogi

The course is useful for the beginners. Gromacs installation procedure is explained but fftw installation was not appropriately explained. Overall it is good for the beginners.
WENDJILLA MEDEIROS
1

Wonderful!
It's a great course. I recommend that you do. Helps a lot.
It provides a very interesting background on the subject.
Tanisha Meghwal

This is very amazing. I learnt so many new concepts about computational chemistry. Definately worth it.
Snehal Devram Patekar

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.
Sangram Santosh Bhosale

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
Vaishnavi Leelesh Dumbre

Nice informative
The course helped to build confidence, Valuable experiences and learning. Overall a very informative training session
Yamuna.A

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