Polymer Institute
Topic
Molecular simulations of novel polymers and employing machine learning to understand knotted topology.
PhD. program
Physical (Macromolecular) Chemistry
Year of admission
2024
Name of the supervisor
Ing. Dušan Račko, PhD.
Contact:
Receiving school
Faculty of Chemical and Food Technology STU
Annotation
This PhD position will focus on using molecular simulations to study the properties of knotted and catenated polymers with active and chiral topology. The research will likely involve developing and applying computational methods to model the behavior of these complex systems at the molecular level, as well as analyzing and interpreting the simulation data to gain insights into the properties and dynamics of knotted polymers with active topology. The goal of the research may be to understand how these systems respond to various stimuli, or to investigate the potential uses of knotted polymers with active topology in fields such as materials science and biotechnology. The goal of the research is also employing machine learning to understand knotted topology and its relation to geometry, dynamics and function of knots.