Numerical solutions for simple Hamiltonian and Lagrangian equations, classical molecular dynamics, various integration schemes, periodic boundary conditions, long range interactions, classical Monte Carlo method, Metropolis algorithm, applications to nano and biological systems, Numerical solutions of Schrodinger equation, electronic structure methods, application to simple molecules, clusters and solids.
Text/ Reference Books:
- Allen M. P. and Tildesley D. J. Computer Simulation of Liquids, Clarendon Press, Oxford.
- Wong S. S. M. Computational Methods in Physics, World Scientific.
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