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DTSTART;TZID=America/Detroit:20180116T160000
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SUMMARY:MICDE Seminar: Theresa Windus\, Chemistry\, Iowa State University
DESCRIPTION:Bio: Theresa Windus is a professor of Chemistry at Iowa State University. She earned her Ph.D. from Iowa State University in 1993 and did post-doctoral research at Northwestern University. Theresa was also the Director of Computational Chemistry/Training at Ohio Supercomputer Center and the Computational Chemistry lead at the Wright Patterson Air Force Base Major Shared Resource Center. Most recently\, she was the manager of the Molecular Science Software Group and the Visualization and User Services group in the Molecular Science Computing Facility in the Environmental Molecular Sciences Laboratory of Pacific Northwest National Laboratory. \nThe challenges of the exascale from the view of a molecular chemist\nThis talk will focus on the challenges that computational chemistry faces in taking the equations that model the very small (molecules and the reactions they undergo) to efficient and scalable implementations on the very large computers of today andtomorrow. In particular\, how do we take advantage of the newest architectures while preparing for the next generation of computers? How do we increase programmer productivity while ensuring excellent performance\, efficiency and portability across multiple platforms? How do we take advantage of the work of mathematicians\, computer scientists and other computational scientists to enable our science\, while ensuring maintainability and usability of the software? How do we ensure that the algorithms that we develop are making wise use of the computational resources? How do help the next generation of computational chemists to be ready for the complex computing environments that they will face? While not claiming to have answers to all (or any!) of these questions\, we will explore some possible solutions and their implications as we go forward and face the current petascale and the future exascale challenges. These will be in the context of several Department of Energy funded computational chemistry Exascale Computing Projects (NWChemEx and GAMESS) and the NSF funded Molecular Sciences Software Institute. \nProf. Windus is being hosted by Prof. Geva (Chemistry). If you would like to meet with him Prof. Windus during her visit please email mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-theresa-windus-chemistry-iowa-state-university/
LOCATION:CHEM 1640\, 930 N University\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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SUMMARY:MICDE Seminar: Jesse Capecelatro\, Department of Mechanical Engineering\, University of Michigan
DESCRIPTION:Bio: Professor Capecelatro is interested in developing large-scale simulation capabilities for prediction and design of the complex multi-physics and multiphase flows relevant to energy and the environment. To achieve this\, his group develops robust and scalable numerical methods to leverage world-class supercomputing resources. His current research projects are focused on adjoint-based methods applied to turbulent combustion\, modeling strongly-coupled particle-laden flows\, and understanding interactions between electrostatics and turbulence in atmospheric clouds. \nPrior to joining the mechanical engineering department at the University of Michigan in 2016\, Dr. Capecelatro was a research scientist at the Center for Exascale Simulation of Plasma-coupled Combustion (XPACC) at the University of Illinois Urbana-Champaign. He received a B.S. in mechanical engineering from SUNY Binghamton in 2009\, and two years later completed a M.S. in mechanical engineering from the University of Colorado Boulder\, where he performed research in collaboration with the National Renewable Energy Laboratory on numerical modeling of fluidized bed reactors. In 2014 he received a Ph.D. from Cornell University under the guidance of Prof Olivier Desjardins\, where his thesis focused on high performance computing of turbulent multiphase flows. He spent the summer following his Ph.D. as a visiting postdoc at the Institut de Mécanique des Fluides de Toulouse and École Centrale Paris focusing on fundamental and numerical studies of particle-induced turbulence. \nTowards Accurate and Tractable Methods of Disperse Multiphase Flows in Extreme Environments\nThe complex and multiscale behavior associated with turbulent flows is further complicated by the presence of a disperse phase (i.e.\, solid particles\, liquid drops\, or gaseous bubbles). Strong coupling between the disperse phase and underlying turbulence plays important roles across engineering and science. For example\, liquid sprays are often used during rocket launches to suppress undesirable aeroacoustic loading on the fuselage and nearby equipment. Recent experiments have shown that water sound suppression systems might also be a viable option for jet noise reduction during take-off and landing of high-performance aircrafts. Within the energy sector\, turbulent suspensions of catalytic particles are used in a variety of energy conversion technologies\, yet the multiphase dynamics occurring in these reactors remain largely unknown. A key challenge in understanding and predicting turbulent multiphase flows is the fundamental importance of processes occurring on extremely small scales that ultimately influence the macroscopic behavior. This presentation will provide an overview of recent advancements in numerical modeling of particle-laden flows with several applications of ongoing research projects.
URL:https://micde.umich.edu/event/micde-seminar-jesse-capecelatro-department-of-mechanical-engineering-university-of-michigan/
LOCATION:185 EWR\, 1351 Beal Ave\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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