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DTSTART;TZID=America/New_York:20210922T120000
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DTSTAMP:20260414T042337
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UID:3727-1632312000-1632315600@che.northeastern.edu
SUMMARY:ChE Seminar Series: Materials Innovation in Nanotechnologies
DESCRIPTION:ChE Seminar Series Presents: \nDr. Paulette Clancy\, Ph.D\nHead of the Department of Chemical and Biomolecular Engineering at Johns Hopkins University \nMaterials Innovation in Nanotechnologies \nAbstract\nThere are many problems at the forefront of materials chemistry whose solution is stymied by its inherent complexity. Such problems are characterized by a rich landscape of parameters and processing variables that is combinatorially too large for either an experimental or a computational approach to solve through an exhaustive search. In such cases\, the usual approach is an Edisonian trial-and-error approach\, which inevitably leaves areas of parameter space unexplored. The problems that we have explored are also characterized by a scarcity of data\, since the data are expensive to acquire\, both experimentally and computationally. This makes it an ideal candidate to solve using a Bayesian optimization (BayesOpt) approach.\nWe have used a Bayesian approach to study several problems in self-assembly processes involving materials chemistry. This talk will discuss two mature test cases in which we used BayesOpt extensively to study (1) how to optimize the choice of solvent and halides to produce high quality thin films of lead-based hybrid organic-inorganic perovskites and (2) identify stable and metastable polymorphs of an organic semiconducting material. I will end with some ideas of where the BayesOpt field can expand its use in the chemical sciences and share some “lessons learned” in implementing BayesOpt and machine learning\, which may be helpful to others who decide to start adding machine learning to their research repertoire. \nBiography\nPaulette Clancy is a Professor and the inaugural Head of the Department of Chemical and Biomolecular Engineering at Johns Hopkins University. She is also the Samuel and Diane Bodman Professor Emerita of Chemical Engineering at Cornell. She is the Associate Director of the Hopkins Center for Integrated Structure-Materials Modeling and Simulation. She was the inaugural Director of the Cornell Institute for Computational Science and Engineering for almost 10 years and is reprising a similar role at Hopkins\, chairing our petascale research computing resources\, ARCH.\nHer research group is recognized as one of the country’s leading computational groups in atomic- scale modeling of materials and algorithm development. Her current thrust is to develop machine learning algorithms to accelerate the search for optimal materials processing protocols. Her group has always been focused on electronic materials\, but it also includes more esoteric projects include xenobiology (Life on Titan) and a screening of therapeutic oligomers to maximize antibacterial ability. She has won numerous awards for mentoring\, service learning and civic engagement\, and promoting those from under- represented groups.
URL:https://che.northeastern.edu/event/che-seminar-series-materials-innovation-in-nanotechnologies/
LOCATION:108 SN
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DTSTART;TZID=America/New_York:20210929T120000
DTEND;TZID=America/New_York:20210929T130000
DTSTAMP:20260414T042337
CREATED:20210924T175623Z
LAST-MODIFIED:20210924T175647Z
UID:3795-1632916800-1632920400@che.northeastern.edu
SUMMARY:ChE Seminar Series: Learning about Biological Interactions\, Recognition\, and Targeted Delivery Through Surface Forces
DESCRIPTION:ChE Seminar Series Presents: \nDr. Tonya Kuhl \nProfessor and Chair\, Department of Chemical Engineering\, UC Davis \nLearning about biological interactions\, recognition\, and targeted delivery through surface forces \nAbstract: \nThe promoters of cell adhesion are ligands\, which are often attached to semi-flexible tethers that bind to surface receptors on adjacent cells. Drug delivery systems\, such as Stealth Liposomes\, have also attempted to use biological specificity to target therapeutic payloads. Using a combination of Monte Carlo simulations\, diffusion reaction theory\, and direct experiments (surface force measurements)\, we have quantified how polymer tethers alter the interaction and binding/capture based on biospecificity (ligand-receptor binding). Experimental and theoretical results as a function of molecular weight and bi-modal distributions will be discussed to enable rational design. \nBiography: \nTonya Kuhl\, is Professor and Chair of Chemical Engineering\, the co-Director of the UC Davis Coffee Center (and co-instructor and developer of ECH 1 “The Design of Coffee”)\, and a faculty member of the Biophysics and Biomedical Engineering Graduate Groups. Her Bachelors was from the University of Arizona and Ph.D. from UCSB\, both in chemical engineering. Her research interests are in the general area of colloidal science\, self-assembly\, and complex fluids.  In particular\, the Kuhl group studies a wide range of systems from surfactants\, lipids and proteins to polymer coatings\, nanoparticles and confined fluids. The common theme is that “interfaces are where stuff happens”.  Her group studies interfaces by directly measuring the normal interactions (attractive and repulsive) between surfaces and their lateral friction using specialized high resolution force spectroscopy. Complementary x-ray and neutron scattering measurements are used to measure the exact film structure on a molecular level\, enabling a fundamental understanding of how surface film structure and experimental conditions yield the measured properties.  Rather than more empirical\, “guess and test”\, approaches for improvement in properties or functionality – the Kuhl group uses direct measurements and theory to enable predictive modeling and rational design.
URL:https://che.northeastern.edu/event/che-seminar-series-learning-about-biological-interactions-recognition-and-targeted-delivery-through-surface-forces/
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