Update March 10, 2020. Following the new official guidelines for the province of Brabant and the sharpened Corona policies of TU/e and DIFFER, unfortunately prof. Lyulin's CCER seminar has had to be cancelled.
Title: Machine learning for design of polymers with required macroscopic properties
Speaker: Prof. Sergey Lyulin (St. Petersburg, Russia)
Time: March 12, 2020, 10:00–11:00
Location: Differ, Alexander-zaal
Abstract | The lecture will be focused on different approaches to use computer-aided molecular design to construct polymers with required properties. We will describe our first results based on the genetic algorithm, as well as the Bayesian molecular design, to discover the high-thermally conductive polymers. We will also discuss the possibility to use Quantitative Structure-Property Relationship (QSPR) theory to architect the specialized neural networks.
Bio | Prof. Sergey V. Lyulin is the Director of the Institute of Macromolecular Compounds and Head of the Laboratory of Polymer Theory and Computer Simulations, St. Petersburg, Russia.