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

TL;DR

This paper describes involving high school students in computational physics research by having them perform density functional theory calculations to estimate toluene adsorption energy on graphene, thereby enhancing their understanding of applied quantum physics.

Contribution

It introduces a novel educational approach by actively involving high school students in advanced materials research using state-of-the-art computational methods.

Findings

Students gained insight into quantum physics and materials research.

Students successfully estimated adsorption energies using DFT.

The approach increased public awareness of theoretical physics.

Abstract

To increase public awareness of theoretical materials physics, a small group of high school students is invited to participate actively in a current research projects at Chalmers University of Technology. The Chalmers research group explores methods for filtrating hazardous and otherwise unwanted molecules from drinking water, for example by adsorption in active carbon filters. In this project, the students use graphene as an idealized model for active carbon, and estimate the energy of adsorption of the methylbenzene toluene on graphene with the help of the atomic-scale calculational method density functional theory. In this process the students develop an insight into applied quantum physics, a topic usually not taught at this educational level, and gain some experience with a couple of state-of-the-art calculational tools in materials research.