2026 ASEE Annual Conference & Exposition

Computational tools such as modeling and simulation have become essential skills in modern materials science and engineering (MSE) practice. However, undergraduate students in MSE programs often have limited exposure to computational modeling in contrast to their more extensive training in experimental methods. As such, students often undervalue computation as a viable method for solving materials problems, viewing it as secondary or supplementary to laboratory experimentation.
To address this gap, we developed and implemented a hands-on Molecular Dynamics (MD) laboratory module which is integrated into the junior-level laboratory course sequence. This module is designed to build upon and extend the fundamental materials modeling concepts covered in the required computational materials science class, allowing students to apply computation in parallel with experimental practices. Students execute and interpret the results of MD simulations on gold nanoparticles and are introduced to the fundamentals of high-performance computing and materials visualization tools.
We aim to investigate the impact of this intervention on students’ perceptions of computation as a powerful problem-solving tool that is commensurate with experiments. Specifically, we will use pre- and post-activity surveys to measure changes in student attitudes regarding the role of computation in MSE relative to experimental methods. Our goal is to evaluate how hands-on computational experiences integrated in existing undergraduate courses influence students’ perceived value of computational modeling in their broader engineering education. Longer term, our goal is to ultimately integrate computational modules into multiple MSE undergraduate courses, thereby establishing a computational throughline in the existing curriculum that reinforces the experimental training students already receive.