Crystal Structure Search using Constrained Optimization
Faster convergence to minimum energy structure by imposing physical constraints.
This project focuses on developing a constrained optimization algorithm to search for crystal structure that has minimum energy and is consistent with experiments.
This research project was an excerpt of my Postgraduate Diploma Thesis supervised by Prof. Sandro Scandolo at the Abdus Centre for Theoretical Physics (ICTP), Trieste, Italy, 2008-2009. SLIDES
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