Das Named Pioneering Researcher by Chemical Communications

Professor Siddhartha Das, a faculty member in the University of Maryland’s Department of Mechanical Engineering, has been recognized as a Pioneering Investigator by Chemical Communications, a top-ranked journal in the field of chemistry and chemical sciences.

As part of this recognition, the journal included Das’s article "All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes" in a special collection designed to showcase international researchers who are making significant contributions to their fields.

The article, co-authored by Raashiq Ishraaq, demonstrates the most recent findings from Das and his team’s ongoing work with toothbrush-like chains of polymers or polyelectrolytes that can be used to "functionalize" surfaces—that is, apply them to some use. These tiny brushes, ranging in size from a few nanometers to a few micrometers, can be utilized in applications that include sensing, diagnostics, current rectification, surface wettability modification, drug delivery, and oil recovery.

Das and researchers at his lab, including Ishraaq, have been using sophisticated simulations of molecular dynamics in order to track properties of the brushes that are difficult to observe experimentally.

"By employing all-atom molecular dynamics simulations, we are able to study behaviors and properties that otherwise would elude researchers," Das said. "We have great confidence that this avenue of research will open up avenues to exciting real-world applications."

A UMD faculty member since 2014, Das has published more than 193 journal papers, including in ACS Nano, Advanced Materials, Matter, Nature Communications, and Soft Matter.

He is a Fellow of the Institute of Physics and also of the Royal Society of Chemistry, which publishes Chemical Communications. In July 2022, he was elected a Fellow of the Institute of Engineering Technology (IET), based in the United Kingdom.

Published October 3, 2024