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.

The CCER seminars are aimed at researchers interested in computational approaches to (energy) research. The seminar is small-scale, typically 15 participants, and interactive, offering lots of room for discussion. If you don't have access to the DIFFER building but would like to attend, just This email address is being protected from spambots. You need JavaScript enabled to view it. .