| Module Name | Download |
|---|---|
| Assignment0 | Assignment0 |
| Week-1-Assignment-CCCMD | Week-1-Assignment-CCCMD |
| Week-2-Assignment-CCCMD | Week-2-Assignment-CCCMD |
| Week-3-Assignment-CCCMD | Week-3-Assignment-CCCMD |
| Week-4-Assignment-CCCMD | Week-4-Assignment-CCCMD |
| Week-5-Assignment-CCCMD | Week-5-Assignment-CCCMD |
| Week-6-Assignment-CCCMD | Week-6-Assignment-CCCMD |
| Week-7-Assignment-CCCMD | Week-7-Assignment-CCCMD |
| Week-8-Assignment-CCCMD | Week-8-Assignment-CCCMD |
| Sl.No | Chapter Name | English |
|---|---|---|
| 1 | Lecture 1 : Introduction to Computational Chemistry | Download To be verified |
| 2 | Lecture 2 : Writing Simple Programs: Compilation and Execution | Download To be verified |
| 3 | Lecture 3 : Programming Techniques-1: Evaluating the sine function | Download To be verified |
| 4 | Lecture 4 : Programming Techniques 2: Do loops and if statements | Download To be verified |
| 5 | Lecture 5 : Programming Techniques 3. Roots of a quadratic equation and arrays | Download To be verified |
| 6 | Lecture 6 : Programming Techniques 4. Arrays and matrices | Download To be verified |
| 7 | Lecture 7 : Practical Session of Programming 1 | Download To be verified |
| 8 | Lecture 8 : Programming Techniques 5. Formats, Functions and Subroutines | Download To be verified |
| 9 | Lecture 9 : Programming Techniques 6. Functions and Subroutines, arranging numbers in as ascending order | Download To be verified |
| 10 | Lecture 10 : Programming Techniques 7. Functions and Subroutines, and the common statement | Download To be verified |
| 11 | Lecture 11 : Numerical Methods. Analysis of errors | Download To be verified |
| 12 | Lecture 12 : Practical Session on Programming 2: The exponential function | Download To be verified |
| 13 | Lecture 13 : Practical Session on Programming 3: Functions and Subroutines | Download To be verified |
| 14 | Lecture 14 : Interpolation Methods 1 | Download To be verified |
| 15 | Lecture 15 : Interpolation Methods 2: Newton’s and Lagrange Interpolation | Download To be verified |
| 16 | Lecture 16 : Errors in interpolation, Matrix operations | Download To be verified |
| 17 | Lecture 17 : Gauss elimination method for matrix inversion | Download To be verified |
| 18 | Lecture 18 : Matrix diagonalization, Similarity transformations | Download To be verified |
| 19 | Lecture 19 : Matrix inversion, Matrix diagonalization | Download To be verified |
| 20 | Lecture 20 : Curve fitting, Newton Raphson method | Download To be verified |
| 21 | Lecture 21 : Random numbers, Numerical integration using Simpson’s rule | Download To be verified |
| 22 | Lecture 22 : Numerical Integration and Differential Equations. | Download To be verified |
| 23 | Lecture 23 : Practical Session on Programming 3: Random numbers, Simpson’s rule; Introduction to Scilab | Download To be verified |
| 24 | Lecture 24 : Scilab-2: Matrix equations and Roots of Polynomials | Download To be verified |
| 25 | Lecture 25 : Scilab-3: Functions, Integrals, Differential Equations and graphs | Download To be verified |
| 26 | Lecture 26 : Scilab-4: Curve Fitting and Execution of Scilab programs | Download To be verified |
| 27 | Lecture 27 : Scilab-5: Legendre polynomials, Multiple plots and Curve fitting | Download To be verified |
| 28 | Lecture 28 : Scilab-6: Integral Transforms; Introduction to Molecular Dynamics (MD) | Download To be verified |
| 29 | Lecture 29 : Classical Molecular Dynamics – 2, Force Fields and Equations of Motion | Download To be verified |
| 30 | Lecture 30 : Classical Molecular Dynamics – 3, Force Fields and MD Algorithms | Download To be verified |
| 31 | Lecture 31 : Classical MD-4 Thermodynamic Properties and Distribution Functions. | Download To be verified |
| 32 | Lecture 32 : Classical MD-5, Execution of programs on liquid argon | Download To be verified |
| 33 | Lecture 33 : Molecular Dynamics using Gromacs-1 | Download To be verified |
| 34 | Lecture 34 : Molecular Dynamics using Gromacs-2 Simulating Liquid Argon | Download To be verified |
| 35 | Lecture 35 : Molecular Dynamics using Gromacs-3: Installing Gromacs | Download To be verified |
| 36 | Lecture 36 : Molecular Dynamics using Gromacs-4: Liquid Water: Input Files | Download To be verified |
| 37 | Lecture 37 : Molecular Dynamics using Gromacs-5: Liquid Water: Analysis of Results | Download To be verified |
| 38 | Lecture 38 : Molecular Dynamics using Gromacs-6: Mixture of Water and Methanol | Download To be verified |
| 39 | Lecture 39 : Molecular Dynamics using Gromacs-7: Gromacs Installation | Download To be verified |
| 40 | Lecture 40 : Molecular Dynamics using Gromacs-38 Simulation of s-peptide | Download To be verified |
| 41 | Lecture 41 : Molecular Dynamics using Gromacs-9: Free Energy of Solvation of Methane, Concluding remarks | Download To be verified |
| Sl.No | Language | Book link |
|---|---|---|
| 1 | English | Not Available |
| 2 | Bengali | Not Available |
| 3 | Gujarati | Not Available |
| 4 | Hindi | Not Available |
| 5 | Kannada | Not Available |
| 6 | Malayalam | Not Available |
| 7 | Marathi | Not Available |
| 8 | Tamil | Not Available |
| 9 | Telugu | Not Available |