Department of Chemical Sciences
A Short Graduate Course on
Introduction to Computer programming in C
Course content
1. Basics of C programming: Introduction to a simple C program - Types of constants, variables and keywords – Types of statements - Types of instructions
2. Operators and expressions: Data types – Operators (arithmetic, logical, relational and conditional) – decision making statements (if, if-else, switch, goto etc.)
3. Input and Output: Input and output functions – File opening, reading, writing and closing
4. Control flow and Loops: For loop – While, do-while loops – Break, continue statements – Nested loops
5. Preprocessor and Macros: Features of preprocessor – Directives – Macro expansion - File inclusion
6. Functions and Standard library: Function declaration and prototypes – Calling a function – recursion – Files in the standard library (stdio.h, stdlib.h, string.h etc.)
7. Pointer and Arrays: Array declaration – Initialization and reading arrays – defining pointers and their types – pointers to arrays - 2-dimentional arrays and pointers – array of pointers
8. Characters and Strings: Defining characters and strings – pointers to strings
9. Structures: structure declaration, storage and accession – uses of structures
10. Exercises and recap of what we have learned in the course!
The duration of the course will be roughly of 10 lectures (20 hrs).
Instructor: Dr. A. Sri Rama Koti
Room no. D-305
Tel. no. 2790
E-mail: koti@tifr.res.in
Venue: Lecture room AG80
Days: Mondays and Thursdays
The first lecture starts on July 5, 2010.
Graduate Course on
Quantum Chemistry
1. Review of classical mechanics, Origins of quantum theory: Black-body radiation, photoelectric effect, Compton effect, Frank-Hertz experiment, Wave-particle duality, Line spectra of atoms.
2. Time-dependent and time-independent Schrödinger equations, Wavefunctions, Observables, Operators, Expectation values, properties of operators. The uncertainty principle.
3. Quantum mechanics of the free particle, barrier penetration, quantum mechanical tunnelling, potential well, the particle in a box, the harmonic oscillator.
4. Factorization techniques for solving second order differential eigenvalue equations. Complete solution of Schrödinger equation of hydrogen atom. Derivation of selection rules from commutation relations
5. Angular momentum. Spherical harmonics.
6. Approximate methods: Variation theory, time-independent perturbation theory for non-degenerate and degenerate states. Time-dependent perturbation theory, transition probability, multiphoton transitions
7. Many electron systems. The anti-symmetry principle, spin orbitals, Slater determinants. Construction of spin-correct wavefunctions. Addition of angular momenta and atomic term symbols. Hartree-Fock self-consistent field method for atoms.
8. Molecular structure. The Born-Oppenheimer approximation. Linear molecules. Non-crossing rules.
9. Semi-empirical molecular orbital methods. Hückel MO theory. Periser-Parr-Pople method, CNDO method.
Instructor: Ranjan Das
Room no. BG-34/B123
Tel. no. 2313/2258
E-mail: ranjan@tifr.res.in
Venue: Lecture room AG80
Days: Mondays, Wednesday, and Fridays
Time: 9:30 hr to 10:45 hr
The first lecture starts on August 6, 2010.
Graduate Course on
· Determinants and Matrix Algebra
Properties of determinants and matrices, Linear transformation, Eigenvector-Eigenvalue problems, Similarity and unitary transformations
· Differential Equations
Separable, Exact, and First-order homogeneous linear differential equations, Sturm-Liouville eigenvalue problem, Legendre polynomials and properties, Spherical harmonics, Bessel equations and properties
· Vector Algebra
Gradient, Divergence, Curl, Gauss and Stokes theorem, Curvilinear coordinates, Tensor analysis
· Complex Analysis
Cauchy-Riemann conditions, Analytic functions, Contour integrals, Taylor and Laurent series, Singularities, Residue theorem, Gamma and Beta function, Method of steepest descent, Stirling series, Asymptotic series, Convergence tests
· Integral Transforms
Fourier series, Fourier transform, Laplace transform, Solution of initial boundary-value problem, Convolution
· Error Analysis
· Introduction to numerical algorithms
Numerical methods in linear algebra, numerical methods for solving ordinary differential equations such as Runge-Kutta and Predictor-Corrector methods, linear programming
Instructors: P. K. Madhu
Room no.: NMR building
Tel. no.: 2874
E-mail: madhu@tifr.res.in
Venue: NMR Lecture room
Days: Mondays, Wednesdays and Fridays
Time: 11:15 hr to 12:45 hr
The first lecture starts on August 9, 2010.
Graduate Course on
Course Description
The course will emphasize on understanding the core physical and chemical principles that drive the biological mechanisms of life. This course will provide chemists an insight into the role they can play in understanding biological processes and will give biologists a chemical perspective to their questions.
· Basics of cellular architecture
· Biomolecular structure, function and their modulation by small molecules
· Thermodynamics of macromolecular interactions
· Statistical mechanics and protein folding
· Chemical and biological synthesis of macromolecules
· Cellular metabolism
· Enzyme function and kinetics
· Bioenergetics and photosynthesis
· Chemical tools for biology: Bioimaging and chemoselective reactions
· Emerging areas in biophysics: Ultrafast reactions in biology and their measurements
Text Books:
1. ‘Lehninger Principles of Biochemistry’, David L. Nelson and Michael M. Cox, W.H. Freeman and Co., 2009
2. ‘Molecular and Cellular Biophysics’, Meyer Jackson, Cambridge University Press, 2006
Instructors: Ankona Datta and Jyotishman Dasgupta
Room No.: NMR-105
Tel. No.: 2792
E-mail: ankona@tifr.res.in and dasgupta@tifr.res.in
Venue: Lecture room AG80
Days: Tuesdays and Thursdays