2DCC-MIP User Engages Undergraduate Researchers in Computational Studies of Metal Chalcogenides
Kate Plass, Professor of Chemistry at Franklin & Marshall College, is expanding research and educational opportunities for undergraduates through her group’s collaboration with the 2D Crystal Consortium–Materials Innovation Platform (2DCC-MIP) at Penn State. Plass’s collaboration with 2DCC theory scientist Adri van Duin and his group has enabled her students to use molecular dynamics simulations to explore the reactivity of metal chalcogenide precursors and identify new reagents for controlled selenization reactions. These efforts led to the discovery of a slower, safer route for generating hydrogen selenide and the publication of multiple research papers. Through this partnership, Plass’s students—many of whom are participating in research for the first time—have gained hands-on experience in computational modeling and presented their work at regional and MaterialsTube – A New AI-Enhanced Resource for Sharing Materials Science Videos meetings. The collaboration also inspired the creation of Franklin & Marshall’s Nanobot Student Research Club, a volunteer-based learning community that introduces undergraduate students to research through computational projects supported by 2DCC expertise and resources.