Computational Modelling Group

Frank Longford

Position
Postgraduate Research Student
Institution
Electronics and Computer Science (FPAS)
Contact
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MChem in Chemistry, University of Sussex (2013)

I studied Chemistry at the University of Sussex and graduated with an MChem in 2013, focussing in Theoretical Physical Chemistry. I was introduced to computational modelling during my final year project, which used programs written in Maple and C++ to solve the Schroedinger Equation for three particle systems, containing a nucleus in motion. It was fascinating to return to the foundations of Quantum Mechanics and explore methods of dealing with electron correlation that disregarded approximations that have been relied upon for the last 90 years.

I am currently studying for a 4-year PhD in Complex Systems Simulation, which also included a taught first year in computational techniques. During this component I completed courses in the C and Python programming languages and developed experience working with Fortran code. The focus of my PhD propsal is modelling emergent properties of the air-water surface interface using a combination of classical and quantum techniques.


Research Interests

3 Body Coulomb Potential Systems

Self Emergent Molecular behavoir in Simulations


Publications

The stability of S-states of unit-charge Coulomb three-body systems: From H to H2+ Andrew W. King, Frank Longford and Hazel Cox; J. Chem. Phys. 139, 224306 (2013)