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NPTEL

Computational Chemistry and Classical Molecular Dynamics

NPTEL and Indian Institute of Technology Bombay via YouTube

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Overview

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

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Reviews

4.5 rating, based on 11 Class Central reviews

Start your review of Computational Chemistry and Classical Molecular Dynamics

  • Profile image for Pratik Khanal
    Pratik Khanal
    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.
  • Profile image for Ayushi Rastogi
    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.
  • Profile image for Tanisha Meghwal
    Tanisha Meghwal
    This is very amazing. I learnt so many new concepts about computational chemistry. Definately worth it.
  • Profile image for Muhammad Kamran Shehzad
    Muhammad Kamran Shehzad
    It was a very effective and informative course and I learnt a lot about computational chemistry from this.
  • 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."
  • Profile image for WENDJILLA MEDEIROS
    WENDJILLA MEDEIROS
    Wonderful!
    It's a great course. I recommend that you do. Helps a lot.
    It provides a very interesting background on the subject.
  • 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.
  • 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
  • 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
  • Profile image for Priyanka
    Priyanka
    One of the best computational chemistry course I studied.Awesome content very helpful. it is one of the easy course for beginners .
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