Crystal Structure Search using Constrained Optimization
Faster convergence to minimum energy structures.
This project focuses on developing a constrained optimization algorithm to search for crystal structures that have minimum energies and are 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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