The CoMSEF Graduate Student Awards in Computational Molecular Science and Engineering were awarded to participants in the CoMSEF poster session at the virtual annual AIChE Meeting: Sarah Alamdari (Washington, Advisor: Jim Pfaendtner) and Ryther Anderson (Colorado School of Mines, Advisor: Diego Gomez-Gualdron). This year the forum also named two Honorable Mentions: Andrew S. Rosen (Northwestern, Advisor: Randall Q. Snurr) and Karun Kumar Rao (Houston, Advisor: Lars Grabow). The CoMSEF Graduate Student Awards recognize excellence in research by graduate students in the field of computational molecular science and engineering. The awardees were selected based on the nomination letters received from each student’s advisor, their CV, and a poster presented during the CoMSEF poster session.