“Accelerating catalysis simulations using surrogate machine learning models”
The development of novel catalysts and catalytic processes will be key to mitigating climate change over the next century. Computational atomic-scale simulations holds the promise to help achieving this target. Accelerating simulations of catalytic processes could speed up progress significantly. I will discuss a general framework for accelerating various aspects of atomic-scale catalysis simulations through the application of surrogate machine learning models.
Date/Time:
Date(s) - Jun 07, 2019
10:00 am - 11:00 am
Location:
Boelter Hall 3400
420 Westwood Plaza Los Angeles CA 90095