Output details

Genetic algorithms and solid state NMR pulse sequences

<24>A CS-chemistry collaboration, genetic algorithms are used to generate exceptionally high performing RF pulse sequences for use in Magic Angle Spinning (MAS) NMR spectroscopy. Breaking the universally adopted assumption of rotorsynchronicity (where the sequence length must map onto a multiple of the spinning period) allows sequences with properties exceeding theoretical bounds (based on approximations via perturbation theory, the most widely analytic paradigm) to be found. Opens up a wealth of further evocomp application. Proceeds via extensive simulation AND experimental validation using suitable model compounds. Won bronze medal (with $2000 prize) at the Human Competitive Awards: "Humies" (GECCO 2013).