First Principles and Beyond

Chris Pickard is a materials scientist who employs what are called first principles methods—modeling techniques that work out material properties using fundamental rules such as quantum mechanics and Newton’s laws. Trained as a condensed matter physicist, he refocused on materials science just as interest in the field was exploding amid advancements in computation. Switching between empirical and theoretical sciences was good preparation for a field that works closely with experimentalists and testers, and that is itself becoming more empirical under the influence of machine learning. Pickard spoke with American Scientist associate editor Nicholas Gerbis about his early successes in studying hydrogen under high pressure, and his hopes for the future of his field. This interview has been edited for length and clarity.

For more on this episode, visit https://www.americanscientist.org/article/first-principles-and-beyond.

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