The laboratory course is aimed at
• Developing elementary programming skills in FORTRAN to enable them write short programs for performing scientific calculations.
• Enabling to use graphical software for visualizing important mathematical functions and their properties through 2 D and 3 D graphs.
• Introducing the basics of numerical mathematics using evaluation of functions, matrices and integrals.
Learning Outcomes:
At the end of the course, the learners should be able to:
• Write short simple programs in FORTRAN and be able to compile and execute them in a host of machines.
• Use standard software tools such as MATLAB and Mathematica to perform algebraic and numerical calculations often required in elementary physical chemistry in the areas of quantum chemistry, spectroscopy, kinetics and thermodynamics
• Use powerful 2D and 3D graphical packages of MATLAB and Mathematica to visualize almost any function of relevance in atomic orbitals, and probability densities in quantum chemistry and spectroscopy.