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:
https://haverford.zoom.us/j/91938649279?pwd=OFhnaXRycUMwc1M3ZG5qa1gwZFluQT09
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