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To increase public awareness of theoretical materials physics, a small groupof high school students is invited to participate actively in a currentresearch projects at Chalmers University of Technology. The Chalmers researchgroup explores methods for filtrating hazardous and otherwise unwantedmolecules from drinking water, for example by adsorption in active carbonfilters. In this project, the students use graphene as an idealized model foractive carbon, and estimate the energy of adsorption of the methylbenzenetoluene on graphene with the help of the atomic-scale calculational methoddensity functional theory. In this process the students develop an insight intoapplied quantum physics, a topic usually not taught at this educational level,and gain some experience with a couple of state-of-the-art calculational toolsin materials research.

Involving high school students in computational physics university research: Theory calculations of toluene adsorbed on graphene