What question did this study set out to answer?

The central aim is to introduce upper division chemistry majors to computational methods in molecular modeling.

March 28, 2026

Toward a Course in Molecular Modeling for Upper Division Chemistry Majors

TFTimothy J. FuhrerRadford University NFNatalie E. FrancioseRadford University

Key Points

The central aim is to introduce upper division chemistry majors to computational methods in molecular modeling.
Developed a short course focused on computational molecular modeling techniques.
Targeted upper division undergraduate chemistry majors.
Outlined foundational quantum mechanical methods used in research.
Showed potential for course expansion into a full semester elective.
Helped students familiarize themselves with computational tools in chemistry.

Abstract

We have developed a short course in computational molecular modeling for upper division undergraduate Chemistry majors. Our hope is to continue to grow this course into a full semester, upper division, undergraduate elective. The goal of the course is to introduce undergraduate Chemistry majors to computational quantum mechanical methods used in molecular modeling research.

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