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SUMMARY:Spiral feedback between computation and experiment at the nano-bio 
 interface
LOCATION:Chemistry A101
TZID:America/Denver
DTSTART:20230321T160000
UID:2026-04-24-07-45-48@natsci.colostate.edu
DTSTAMP:20260424T074548
Description:About the Seminar\n\nThe 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 trans
 formed through their interaction with organisms or the environment? This p
 resents a need for developing and benchmarking design principles for susta
 inable nanoparticles\, and it is is being addressed\, in party\, by the Ce
 nter for Sustainable Nanotechnology. [ACS Central Science 1\, 117 (2015)] 
 Our group contributes to that effort by advancing theoretical and computat
 ional frameworks to bridge across molecular scale structure and motion\, a
 nd the behavior of nanoparticles in complex environments at macro and meso
  scales. [J. Phys. Chem. B 120\, 7297 (2016) and [ACS Central Science 7\, 
 1271 (2021)] The latter includes the contact of nanoparticles with model m
 embranes and other constituents found in the cellular matrix. Our toolkit 
 includes molecular dynamics\, enhanced sampling\, nonequilibrium statistic
 al mechanics\, coarse-graining\, and machine learning. We will describe th
 e spiral feedback between simulation and experiment that we are employing 
 to design principles for creating devices optimized for high performance a
 nd minimal environmental impact.\n\nAbout the Speaker\n\nDr. Rigoberto Her
 nandez is the Gompf Family Professor in the Department of Chemistry at the
  Johns Hopkins University\, and the Director of the Open Chemistry Collabo
 rative in Diversity Equity (OXIDE). He is also a Professor in the Departme
 nts of Chemical and Biomolecular Engineering\, and Materials Science and E
 ngineering at Johns Hopkins University. Before joining Hopkins in 2016\, h
 e was a Professor in the School of Chemistry and Biochemistry at Georgia T
 ech for 20 years. He was born in Havana\, Cuba and is a U.S. Citizen by bi
 rthright. He holds a B.S.E. in Chemical Engineering and Mathematics from P
 rinceton University (1989)\, and a Ph.D. in Chemistry from the University 
 of California\, Berkeley (1993). He is a theoretical and computational che
 mist who originate the field of chemical dynamics in complex environments 
 (through a biennial Telluride Workshop since 2001). Applications include c
 olloidal suspensions\, sustainable nanotechnologies\, protein folding and 
 rearrangement\, autonomous computing machines\, and energetic formulations
 . His group’s research is presently supported by the NSF\, the DOE and t
 he Sloan Foundation.\n\nDr. Hernandez is the recipient of a National Scien
 ce Foundation (NSF) CAREER Award (1997)\, Research Corporation Cottrell Sc
 holar Award (1999)\, the Alfred P. Sloan Fellow Award (2000)\, a Humboldt 
 Research Fellowship (2006-07)\, the ACS Award for Encouraging Disadvantage
 d Students into Careers in the Chemical Sciences (2014)\, the CCR Diversit
 y Award (2015)\, the RCSA Transformative Research and Exceptional Educatio
 n (TREE) Award (2016)\,  the Herty Medal (2017)\, the Stanley C. Israel R
 egional Award for Advancing Diversity in the Chemical Sciences (2018)\, an
 d the RCSA IMPACT Award (2020).  He is a Fellow of the American Associati
 on for the Advancement of Science (AAAS\, 2004)\, the American Chemical So
 ciety (ACS\, 2010)\, the American Physical Society (APS\, 2011)\, and the 
 Royal Society of Chemistry (FRSC\, 2020). He was a Phi Beta Kappa Visiting
  Scholar in 2015-2016. He previously served as the District IV Director on
  the American Chemical Society Board of Directors (2014-2019). He currentl
 y serves on the Sloan MPHD Advisory Committee (since 2013)\, the Chair-Ele
 ct of the APS Division of Chemical Physics\, and as the Chair of the AAAS 
 Committee on Opportunities in Science (COOS\, 2022-2024). 4:00 pm
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