Thomas Bligaard has been appointed professor at DTU Energy.
On this occasion, we cordially invite you to his inaugural lecture on:
Machine learning accelerated catalysis simulations
After the lecture, we will host a reception.
Yours sincerely,
Søren Linderoth
Head of Department, DTU Energy
Abstract
The development of novel catalysts and catalytic processes will be key to mitigating climate change over the next century. Computational atomic-scale simulations hold 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.