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  • May
    25

    TAM Seminar: Hendrick Heinz

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM A230, Technological Institute

    EVENT DETAILS

    Title: Simulation of Nanomaterials and Composites from Atoms to Micrometers in Chemical Accuracy: Models, Examples, and Applications

    Abstract :

    The development of functional materials continues to rely on extensive trial-and-error studies Rational understanding and design by simulation and machine learning have become increasingly feasible due to more accurate models, data, and affordable computing resources. This talk focuses on advanced simulation techniques with the INTERFACE force field (IFF) in combination with DFT and experiments to understand molecular recognition and assembly of metal, mineral, and polymer nanostructures for functional materials at the scale from atoms to 1000 nanometers. We will describe suitable representations for chemical bonding, surface chemistry, and electrolyte composition along with validation against experimental data that enable surprising improvements of 10 to 100 times in prediction accuracy relative to earlier simulations. Some use cases include mineral surfaces and interactions with organic compounds, implications on nanocrystal growth and morphology, and revealing rules of molecular recognition and self-assembly in the 4D spatial and temporal resolution that are difficult to obtain from experiments. Specifically, we will explain the adsorption and assembly of peptides and macromolecules on metallic, 2D, and oxide/hydroxide nanostructures, as well as solid-electrolyte processes in Pt-based electrocatalysts in fuel cells that helped design the highest activity in the oxygen reduction reaction (ORR) known to-date. We will also showcase reactive simulations that involve simple extensions of IFF with Morse potentials to facilitate bond breaking and enable highly accurate simulations of stress-strain properties of materials up to failure. We illustrate predictions of mechanical properties of CNT bundles and carbon fiber cross-sections with various morphologies and defect levels using high-throughput molecular dynamics simulations and machine learning methods. 10 to 1000 times faster predictions of strength and modulus in 5% to 10% accuracy are feasible, and we will explain suitable descriptors and ML protocols, including graph neural networks with spatial features, multilayer perceptron (MLP), gradient-boosted trees, and causal discovery techniques. Recommendations for data sets and scalability to other materials systems will be made.

    Biography

    Hendrik Heinz received his Ph.D. degree from ETH Zurich and carried out postdoctoral work at the Air Force Research Laboratory. He is a Professor of Chemical Engineering, Biological Engineering, and Materials Science at the University of Colorado at Boulder, a Fellow of the Royal Society of Chemistry and of the International Association of Advanced Materials. His research focuses on the simulation of biomaterials and nanomaterials from atoms to the microscale, including data science methods. He leads the development of the Interface force field and surface models for the simulation of compounds across the periodic table in high accuracy, including minerals, alloys, 2D materials, proteins, and polymers. He received the Special Creativity and Careers Awards from

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    TIME Thursday, May 25, 2023 at 11:00 AM - 12:00 PM

    LOCATION A230, Technological Institute    map it

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    CONTACT Tierney Acott    tierney.acott@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • Apr
    26

    EES Seminar Series- Kaize Ding

    McCormick - Civil and Environmental Engineering (CEE)

    2:00 PM A236, Technological Institute

    EVENT DETAILS

    TIME Friday, April 26, 2024 at 2:00 PM - 3:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    1

    SPREE Seminar Series- Roman Makhenko

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM A236, Technological Institute

    EVENT DETAILS

    TIME Wednesday, May 1, 2024 at 11:00 AM - 12:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    3

    EES Seminar Series- X-ray fluorescence microscopy for life and environmental studies at the Advanced Photon Source- Si Chen

    McCormick - Civil and Environmental Engineering (CEE)

    2:00 PM A236, Technological Institute

    EVENT DETAILS

    TIME Friday, May 3, 2024 at 2:00 PM - 3:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    6

    AED/MPM PD Seminar Series- Steve Nargang

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM 1101, Pancoe-NSUHS Life Sciences Pavilion

    EVENT DETAILS

    TIME Monday, May 6, 2024 at 11:00 AM - 12:00 PM

    LOCATION 1101, Pancoe-NSUHS Life Sciences Pavilion    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    8

    SPREE Seminar Series- Investigating Single & Multi-Component Polymer Grafted Nanoparticles using Molecular Modelling- Subhadeep Pal

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM A236, Technological Institute

    EVENT DETAILS

    TIME Wednesday, May 8, 2024 at 11:00 AM - 12:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • 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
    10

    EES Seminar Series- Phosphorous Recycling- Jade Basinski

    McCormick - Civil and Environmental Engineering (CEE)

    2:00 PM A236, Technological Institute

    EVENT DETAILS

    TIME Friday, May 10, 2024 at 2:00 PM - 3:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    13

    AED/MPM PD Seminar Series- Albert Mena & Maya Stuhlbarg

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM 1101, Pancoe-NSUHS Life Sciences Pavilion

    EVENT DETAILS

    TIME Monday, May 13, 2024 at 11:00 AM - 12:00 PM

    LOCATION 1101, Pancoe-NSUHS Life Sciences Pavilion    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    15

    SPREE Seminar Series- Understanding Heat Transport at Grain Boundaries Through High Resolution Imaging- Elenora Isotta

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM A236, Technological Institute

    EVENT DETAILS

    TIME Wednesday, May 15, 2024 at 11:00 AM - 12:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    17

    EES Seminar Series- Dave Lampert

    McCormick - Civil and Environmental Engineering (CEE)

    2:00 PM A236, Technological Institute

    EVENT DETAILS

    TIME Friday, May 17, 2024 at 2:00 PM - 3:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    20

    AED/MPM PD Seminar Series- Andres Marulanda Escobar

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM 1101, Pancoe-NSUHS Life Sciences Pavilion

    EVENT DETAILS

    TIME Monday, May 20, 2024 at 11:00 AM - 12:00 PM

    LOCATION 1101, Pancoe-NSUHS Life Sciences Pavilion    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    22

    SPREE Seminar Series- Mechanism-Based Multi-Scale Models for Damage and Failure in Heterogeneous Materials- Kedar Kirane

    McCormick - Civil and Environmental Engineering (CEE)

    11:00 AM A236, Technological Institute

    EVENT DETAILS

    TIME Wednesday, May 22, 2024 at 11:00 AM - 12:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • May
    24

    EES Seminar Series- PFAS Characterization- Gordon Getzinger

    McCormick - Civil and Environmental Engineering (CEE)

    2:00 PM A236, Technological Institute

    EVENT DETAILS

    TIME Friday, May 24, 2024 at 2:00 PM - 3:00 PM

    LOCATION A236, Technological Institute    map it

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • Jun
    6

    CEE Department Graduation Recognition and Ceremony

    McCormick - Civil and Environmental Engineering (CEE)

    4:00 PM 1702 Chicago Ave

    EVENT DETAILS

    TIME Thursday, June 6, 2024 at 4:00 PM - 8:00 PM

    LOCATION 1702 Chicago Ave   

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • Jun
    7

    CEE Graduating Undergraduate Celebrating

    McCormick - Civil and Environmental Engineering (CEE)

    6:00 PM 623 W Howard St

    EVENT DETAILS

    TIME Friday, June 7, 2024 at 6:00 PM - 9:00 PM

    LOCATION 623 W Howard St   

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    CONTACT Andrew Liguori    andrew.liguori@northwestern.edu EMAIL

    CALENDAR McCormick - Civil and Environmental Engineering (CEE)

  • 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