Strengthening the marriage of computation and experimentation is a goal of Peng Liu, assistant professor in Pitt’s Department of Chemistry. The Liu lab is using Pitt CRC in refining computation models as part of a research process incorporating rapid experimental feedback.

“With only computation, we can never really reproduce reality,” explains Liu. “There can be a tremendous amount of error in computation when dealing with complex chemical systems. Experimentation works with realistic systems, but it is often based on trial and error. To advance computation to guide experiments you need new computational models that incorporate experimentation. Experimentation may be trial and error, but don’t forget the importance of intuition in trial and error.”

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 Peng Liu