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  • Oct
    24

    ChBE Fall Quarter Seminars - Heather Kulik

    McCormick-Chemical and Biological Engineering

    9:00 AM M345, Technological Institute

    EVENT DETAILS

    Weekly seminars with guest speakers.

    Thursdays 9:00AM - 10:00AM Tech M345

    Heather Kulik
    MIT
    Host: Randy Snurr

    Title:
    Molecular design blueprints: materials and catalysts from new simulation and machine learning tools

    Abstract:
    Many compelling functional materials and highly selective catalysts have been discovered that are defined by their metal-organic bonding. The rational design of de novo transition metal complexes however remains challenging. First-principles (i.e., with density functional theory, or DFT) high-throughput screening is a promising approach but is hampered by high computational cost, particularly in the brute force screening of large numbers of ligand and metal combinations. In this talk, I will outline our efforts over the past few years to accelerate the design of inorganic complexes for catalysis and materials science: i) We have automated and simplified simulation, eliminating the need for tedious manual preparation of computational chemistry calculations, ii) We developed machine learning (ML) models that predict properties in a fraction of the time of traditional calculations, iii) We developed ML models that can predict outcomes of simulations for dynamic, autonomous control, and iv) We integrated these tools into an automated design workflow for the evolutionary algorithm optimization of materials properties with awareness of ML model and DFT model uncertainty. I will describe how this powerful toolkit has advanced our understanding of a range of metal-organic complexes from functional spin crossover materials to open-shell transition metal catalysts by enabling the rapid screening of thousands of candidate molecules and by revealing robust design rules.

    Bio:
    Professor Heather J. Kulik is an Associate Professor in the Department of Chemical Engineering at MIT. She received her B.E. in Chemical Engineering from the Cooper Union for the Advancement of Science and Art in 2004 and her Ph.D. from the Department of Materials Science and Engineering at MIT in 2009. She completed postdoctoral training at Lawrence Livermore and Stanford, prior to joining MIT as a faculty member in November 2013. Her research in accelerating computational modeling in inorganic chemistry and catalysis has been recognized by a Burroughs Wellcome Fund Career Award at the Scientific Interface, Office of Naval Research Young Investigator Award, DARPA Young Faculty Award, NSF CAREER Award, the AAAS Marion Milligan Mason Award, and the Journal of Physical Chemistry Lectureship, among other awards.

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    TIME Thursday, October 24, 2019 at 9:00 AM - 10:00 AM

    LOCATION M345, Technological Institute    map it

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    CONTACT Elizabeth Rentfro    elizabeth.rentfro@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering

  • Apr
    24

    BTP Seminar Series: Pratima Cherukuri, Genezen

    McCormick-Chemical and Biological Engineering (ChBE)

    12:00 PM LR4, Technological Institute

    EVENT DETAILS

    TIME Wednesday, April 24, 2024 at 12:00 PM - 2:00 PM

    LOCATION LR4, Technological Institute    map it

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    CONTACT Jennifer Young    jennifer.young@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • Apr
    25

    ChBE Seminar Series: From, "Will this be on the exam?" to "I enjoyed learning": Motivating Chemical Engineering Education Contexts - Allison Godwin, Cornell University

    McCormick-Chemical and Biological Engineering (ChBE)

    9:30 AM LR4, Technological Institute

    EVENT DETAILS

    TIME Thursday, April 25, 2024 at 9:30 AM - 10:45 AM

    LOCATION LR4, Technological Institute    map it

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    CONTACT Olivia Wise    olivia.wise@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • May
    2

    ChBE Seminar Series: "Interfacial colloidal interactions, dynamics, and assembly: from biomembranes to ordered 2D materials" - Peter Beltramo, University of Massachusetts

    McCormick-Chemical and Biological Engineering (ChBE)

    9:30 AM LR4, Technological Institute

    EVENT DETAILS

    TIME Thursday, May 2, 2024 at 9:30 AM - 10:45 AM

    LOCATION LR4, Technological Institute    map it

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    CONTACT Olivia Wise    olivia.wise@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • May
    8

    Extending Care: A Conversation about Conservation and Futurity

    Block Museum of Art

    6:00 PM Block Museum of Art, Mary and Leigh

    EVENT DETAILSmore info

    TIME Wednesday, May 8, 2024 at 6:00 PM - 7:30 PM

    LOCATION Block Museum of Art, Mary and Leigh    map it

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    CONTACT Block Museum of Art    block-museum@northwestern.edu EMAIL

    CALENDAR Block Museum of Art

  • May
    9

    ChBE Seminar Series: Influence of visible photons on catalytic reactions at metal nanoparticle surfaces - Phillip Christopher, University of California, Santa Barbara

    McCormick-Chemical and Biological Engineering (ChBE)

    9:30 AM LR4, Technological Institute

    EVENT DETAILS

    TIME Thursday, May 9, 2024 at 9:30 AM - 10:45 AM

    LOCATION LR4, Technological Institute    map it

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    CONTACT Olivia Wise    olivia.wise@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • May
    16

    35th Annual Hugh M. Hulburt Memorial Lecture: "Adsorption Thermodynamics for Process Simulation" - Chau-Chyun Chen, Texas Tech University

    McCormick-Chemical and Biological Engineering (ChBE)

    9:30 AM LR4 (M113), Technological Institute

    EVENT DETAILS

    TIME Thursday, May 16, 2024 at 9:30 AM - 10:45 AM

    LOCATION LR4 (M113), Technological Institute    map it

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    CONTACT Jennifer Young    jennifer.young@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • May
    23

    ChBE Seminar Series: ARDEI Annual Lecture | Christine Reyna, DePaul University

    McCormick-Chemical and Biological Engineering (ChBE)

    9:30 AM LR4, Technological Institute

    EVENT DETAILS

    TIME Thursday, May 23, 2024 at 9:30 AM - 10:45 AM

    LOCATION LR4, Technological Institute    map it

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    CONTACT Olivia Wise    olivia.wise@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • May
    30

    ChBE Seminar Series: Ruihan Li and Kunhuan Liu, Student Seminars

    McCormick-Chemical and Biological Engineering (ChBE)

    9:30 AM LR4, Technological Institute

    EVENT DETAILS

    TIME Thursday, May 30, 2024 at 9:30 AM - 10:45 AM

    LOCATION LR4, Technological Institute    map it

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    CONTACT Olivia Wise    olivia.wise@northwestern.edu EMAIL

    CALENDAR McCormick-Chemical and Biological Engineering (ChBE)

  • Jun
    10

    Northwestern Engineering PhD Hooding and Master's Degree Recognition Ceremony

    McCormick School of Engineering and Applied Science

    9:00 AM Welsh-Ryan Arena

    EVENT DETAILSmore info

    TIME Monday, June 10, 2024 at 9:00 AM - 11:00 AM

    LOCATION Welsh-Ryan Arena   

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    CONTACT Amy Pokrass    amy.pokrass@northwestern.edu EMAIL

    CALENDAR McCormick School of Engineering and Applied Science

  • Jun
    10

    Northwestern Engineering Undergraduate Convocation

    McCormick School of Engineering and Applied Science

    2:00 PM Welsh-Ryan Arena

    EVENT DETAILSmore info

    TIME Monday, June 10, 2024 at 2:00 PM - 4:00 PM

    LOCATION Welsh-Ryan Arena   

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    CONTACT Amy Pokrass    amy.pokrass@northwestern.edu EMAIL

    CALENDAR McCormick School of Engineering and Applied Science