Wednesday, July 9, 2008

Quantum Monte Carlo Methods

I've just got my second project from uni: Analysing Electronic Structures using Quantum Monte Carlo Methods. Simply put, Quantum Monte Carlo (QMC) is a highly accurate computational technique for solving the Schrodinger equation for realistic electronic systems. This project could take one of two directions, depending on time constraints, as well as my own developing interests, with both projects giving experience of what is involved in the ‘real world’ application of quantum mechanics.

1.Implementation: This project involves writing a QMC program in FORTRAN90 from scratch which exactly solves the Schrodinger equation for the helium atom.

2.Application: This project involves applying an existing QMC code to investigate the properties of molecules which may have important roles to play in future hydrogen storage schemes. This will involve the use of massively parallel supercomputers.

:) Can't wait :)

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