Computational Materials Science

"Taking the guesswork out of NanoScience and Technology"

Understanding the magnetic, optical, electrical and structural properties of solids in terms of their chemical composition and atomic structure by numerically solving the quantum mechanical equations describing the motion of the electrons is the central research activity of the group Computational Materials Science. These equations contain no input from experiment other than the fundamental physical constants, making it possible to analyze the properties of systems which are difficult to characterize experimentally or to predict the physical properties of materials which have not yet been made. This is especially important when experimentalists attempt to make hybrid structures approaching the nanoscale.


The CMS group is part of the MESA+ institute for Nanotechnology at the University of Twente.