AI-Accelerated Materials Discovery I

Tuesday, May 30, 2023
P - Computations for materials – discovery, design and the role of data P05 10:00 AM > 12:00 PM AI-Accelerated Materials Discovery I Londres 2 (Ground floor) P - Computations for materials – discovery, design and the role of data

10:00 AM 1053 Active materials exploration and characterization with Bayesian optimization > P. Patrick RINKE (Espoo) 10:30 AM 24 Overlooked design parameters for efficient thermoelectric devices > D. Denis MUSIC (Malmö) 10:45 AM 2517 Concepts for Predicting Phase Transition > M. Mario GRAML (Linz) 11:00 AM 1098 How quantum crystallography can aid materials design > S. Simon GRABOWSKY (Bern) 11:15 AM 1317 Lessons learned from an international Materials Acceleration Platform > M. Monika VOGLER (Ulm) 11:30 AM 2527 Accurate estimation of diffusion coefficients and their uncertainties from computer simulation > B. Benjamin MORGAN (Bath) 11:45 AM 92 Machine Learning small datasets: The good, the bad and the average > D. Danny VANPOUCKE (Diepenbeek)

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