Get updates on Eligibility, Admission, Placements Fees Structure
Quick Facts
| Medium Of Instructions | Mode Of Learning | Mode Of Delivery |
|---|---|---|
| English | Self Study | Video and Text Based |
Course Overview
The Advanced Thermodynamics and Molecular Simulations course by SWAYAM is a 12-week-long online program designed to teach postgraduate-level advanced thermodynamics concepts. It is a two-part program developed by the Indian Institute of Technology, Roorkee which follows a Physics-based treatment of thermodynamics. Additionally, students will learn about molecular simulation techniques in great detail.
The Advanced Thermodynamics and Molecular Simulations online course aim to develop a statistical mechanics framework of thermodynamics concepts learned at the undergraduate level. Learners will gain a molecular-level understanding of the thermodynamics principles. The program will also teach some advanced free energy calculation techniques.
Simulations methods such as molecular dynamics simulation and Monte Carlo simulation methods, which are used to find the equation of the states will be discussed thoroughly. The course is relevant in the context of FMCG, Oil, Pharmaceutical, and Chemical industries.
The Highlights
- 12-weeks long program
- Online course
- Elective type of course
- An offering of the Indian Institute of Technology, Roorkee
- Batch dates available
- Chemical engineering category
- Ongoing course
- Undergraduate/Postgraduate level course
- Exam date onsite
Important dates
Course Commencement Date
Start Date : 20 Jan, 2025
End Date : 11 Apr, 2025
Enrollment Date
End Date : 27 Jan, 2025
Other
End Date : 14 Feb, 2025
Certificate Exam Date
Start Date : 26 Apr, 2025
Programme Offerings
- online learning
- Free course access
- exam
- video lectures
- expert instructor
- Self-paced learning
- Paid certification
- 12 weeks of training
- assignments
- A shareable certificate
- An offering of IIT Roorkee
- Comprehensive curriculum.
Courses and Certificate Fees
| Certificate Availability | Certificate Providing Authority |
|---|---|
| yes | IIT Roorkee |
Advanced Thermodynamics and Molecular Simulations fee structure -
Course option | Fee |
Advanced Thermodynamics and Molecular Simulations (Access only) | Free |
Advanced Thermodynamics and Molecular Simulations (Exam fee) | Rs. 1,000 |
Eligibility Criteria
There will be a total of 12 assignments throughout the course along with the written exam at the end. The average assignment score is 25% of the average of the best eight assignments out of 12. Exam score accounts for 75% of the final score. You will only be eligible for the Advanced Thermodynamics and Molecular Simulations certification if you achieve the average assignment score of 10/25 and 30/75 marks in the final exam.
To enroll in the Advanced Thermodynamics and Molecular Simulations program by SWAYAM, you must have an undergraduate qualification in statistical mechanics or thermodynamics.
What you will learn
The Advanced Thermodynamics and Molecular Simulations syllabus covers advanced concepts associated with Thermodynamics and molecular theories. After the completion of this course, you will become adept in:
- Recognizing the best-suited molecular simulation technique for a particular problem
- Implementing the concepts of thermodynamics in comprehending the chemical engineering problems
- Performing simulations and examining the results
- Use knowledge of thermodynamics concepts in research work.
Who it is for
The Advanced Thermodynamics and Molecular Simulations training is mainly intended for final year undergraduate and first-year postgraduate students studying:
- Nanotechnology
- Chemical engineering
- Polymer Science
- Mechanical engineering
- Chemistry
- Materials Science
Admission Details
You can quickly join the Advanced Thermodynamics and Molecular Simulations training by following the simple steps given below.
Step 1 – Click on this link => https://onlinecourses.nptel.ac.in/noc25_ch02/preview. You will reach the official course page of the Advanced Thermodynamics and Molecular Simulations at the SWAYAM website.
Step 2 – Locate the ‘Sign-in/Register’ button at the top of this webpage. Click on it to reach the registration page.
Step 3 – Now log in by linking an existing Google, Microsoft, or Facebook account. You can also sign-up by clicking on the ‘Sign up now’ button and entering the required details for creating a new account.
Step 4 – Now, you can simply enrol in the Advanced Thermodynamics and Molecular Simulations by clicking on the ‘Join’ button on the course page.
NOTE – Candidates should check whether the course is open for enrolment or not on the course page.
Application Details
Admission to the Advanced Thermodynamics and Molecular Simulations course does not require you to fill any application form. Simply log on to the SWAYAM website, signing up for an account, and join the course. However, while registering, don’t forget to furnish your personal, educational, occupational, and contact information.
The Syllabus
- Introduction to the course
- Distributions and probability
- Molecular origin of entropy
- Thermodynamic equilibrium
- Boltzmann approximation
- Thermodynamic functions
- Maxwell relations
- Thermodynamics laws
- Legendre transformation
- Averages and fluctuations
- Method of Lagrange multipliers
- Introduction to thermodynamic ensembles
- Partition function
- Definition of Temperature
- Derivation of thermodynamic properties in various ensembles
- Phase equilibrium
- Gibbs phase rule
- Mixing and phase separation
- Chemical potential
- Osmotic pressure
- Lattice model of solutions
- Phase space and Hamiltonian
- Theoretical basis of Molecular simulations
- Monte Carlo (MC) Simulations: Setting up a simulation,
- Types of boundary conditions
- Detailed balance
- Monte Carlo (MC) Simulations: Numerical implementation
- Analysis and interpretation of results
- Case studies
- Practical Introduction to Particle Simulations
- Molecular Dynamics (MD) Simulations: Numerical integration of equations of motion
- Force-fields
- Molecular Dynamics (MD) Simulations
- Temperature and Pressure Control
- Analysis and interpretation of results
- efficiency and parallelization
- Case studies
- Methods to study phase behavior and coexistence
- Methods for Free Energy Calculations
- Thermodynamic integration
- Widom’s particle insertion method
- Umbrella sampling and other advanced strategies
- Non-equilibrium and Mesoscale Simulations: Langevin equations, Brownian dynamics (BD)
- Kinetic Monte Carlo (kMC) simulations, and other methods
- Simulations of chemical reactions and quantum chemistry simulations
Evaluation process
Appearing for the Advanced Thermodynamics and Molecular Simulations exam is optional. Candidates who want to receive a certificate of completion have to take the exam by paying a fee of Rs. 1,000.
A registration link will be made available for the interested candidates in the future. To take the Advanced Thermodynamics and Molecular Simulations online program exam, one has to pay the fee and fill the online registration form.
Instructors
IIT Roorkee Frequently Asked Questions (FAQ's)
The Indian Institute of Technology (IIT), Roorkee accredits this program.
Dr. Prateek Kumar Jha, Associate Professor in the Department of Chemical Engineering at IIT Roorkee, will be your instructor for the Advanced Thermodynamics and Molecular Simulations course.
No, eligible candidates will get only an e-certificate.