My First Look Inside a Molecular World

Molecular Dynamics

Saumya Wagh

8/20/20261 min read

Walking into my summer research internship at NC State University The Pfaendtner Research Group for the first time, I expected lab coats, beakers, maybe a fume hood. What I found instead was a room full of monitors, code, and simulation, a lab where the "experiments" happen inside a computer.

Until this summer, every material I'd ever made, I'd made with my hands: mixing, testing, tweaking, watching something take shape in front of me. Here, the material takes shape one atom at a time, calculated rather than assembled, governed by physics equations instead of a recipe.

It took a few days to stop looking for the wet lab. Once I did, something clicked: this is where materials get designed before they're ever built. Data science, physics-based modeling, and computational engineering, working together to predict how a molecule will behave long before anyone touches a single ingredient.

I'm still new to this world, still learning to read a trajectory file the way I'd read a lab notebook. But I can already tell this internship isn't just teaching me new tools. It's teaching me an entirely different way of asking "what if," one atom at a time. I am hooked to this and I’ll be peeling the onion. More to come for sure

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