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May 25, 2024
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MCSC 6180G - Computational Physics
The course introduces the fundamental principles which form the basis for carrying out modern HPC simulations in physics, chemistry and materials science; their realization in the form of various numerical algorithms; and applications to different problems and real-world systems. The main focus is advanced methods of studying quantum mechanical and statistical mechanical systems. Approaches considered include density functional theory (DFT) and its formulation in terms of pseudopotential and all electron methods (DFT will be extended to treat excited states and in particular, the optical properties of materials); molecular dynamics simulation, which will be used to describe ground-state properties such as atomic structure, vibrations and phase transitions, and the structural properties of fluids and fluid mixtures; and Monte Carlo simulation, which will be used to provide molecular-level descriptions of various materials, fluids and fluid mixtures.
Credit hours: 3
Prerequisite(s): Undergraduate-level quantum mechanics and statistical mechanics.
Cross-listed: MTSC 6610G - Computational Physics .
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