Speaker: Dr. Thomas D Swinburne

Uncertainty-Aware Exploration of Atomic Energy Landscapes

Atomic simulations allow fantastic insight for chemistry and materials science, but in silico data has many uncertainties which complicate interpretation and prediction. I will discuss recent Bayesian methods to quantify two important sources of uncertainty: those arising from imperfect models for atomic interaction[1,2] and incomplete sampling of the atomic energy landscape[3]. [more]
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