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.