Dr. Rigoberto Hernandez: Spiral Feedback Between Computation and Experiment at the nano-bio Interface

Friday, October 23, 2020
3:00 PM - 4:30 PM (ET)
OCL Virtual Talk
Event Type
Griffin, Lisa
Provost Office

Distinguished Visitors Program Virtual Talk:

“Spiral feedback between computation and experiment at the nano-bio interface”

Distinguished Visitor Dr. Rigoberto Hernandez is the Gompf Family Professor in the Department of Chemistry at the Johns Hopkins

Friday, October 23 2020 at 3:00 pm (ET)

Join Zoom Talk:
Meeting ID: 919 3864 9279
Passcode: 964908

Abstract: The nanoparticles we make today to address problems in energy and human health will enter the environment tomorrow. Will they be benign or will they lead to deleterious downstream effects to our environment? Will those impacts change as the nanoparticles are transformed through their interaction with organisms or the environment? The Center for Sustainable Nanotechnology is developing and benchmarking design principles for sustainable nanoparticles. Our group contributes the theoretical and computational frameworks to bridge the molecular scale structure and motion to macro and meso scale behavior of nanoparticles in complex environments. At the molecular to meso scale, this includes contact of nanoparticles with model membranes and other constituents found in the cellular matrix. Our toolkit includes molecular dynamics, enhanced sampling, nonequilibrium statistical mechanics, coarse-graining, and machine learning. We will describe the spiral feedback between simulation and experimental collaborators that we are using to construct design principles for creating devices optimized for high performance and minimal environmental impact.

Sponsored by the Department of Chemistry in conjunction with the Distinguished Visitors Program

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