Topic: Finding Thermally Robust Superhard Materials with Machine Learning
Speaker: Dr. Jakoah Brgoch from University of Houston
We’re super thrilled to host our next speaker, Dr. Jakoah Brgoch from University of Houston, to bring us:
“Finding Thermally Robust Superhard Materials with Machine Learning”
Jakoah is pioneering the use of machine learning to address the problem of inorganic materials synthesizability, with the solid-state chemistry perspectives in looking at inverse design.
Abstract
Superhard materials with a Vickers hardness >40 GPa are essential in applications ranging from manufacturing to energy production. Finding new superhard materials has traditionally been guided by empirical design rules derived from classically known materials. However, the ability to quantitatively predict hardness remains a significant barrier in materials design. To address this challenge, we constructed an ensemble machine-learning model capable of directly predicting load-dependent hardness. The predictive power of our model was validated on eight unmeasured metal disilicides and a hold-out set of superhard materials. The trained model was then used to screen compounds in Pearson’s Crystal Data (PCD) set and combined with our recently developed machine-learning phase diagram tool to suggest previously unreported superhard compounds. Finally, industrial materials often experience tremendous heat during application; thus, we are building a method for predicting hardness at elevated temperatures.
Biography
Prof. Jakoah Brgoch is an Associate Professor in the Department of Chemistry and a Principal Investigator in the Texas Center of Superconductivity. Jakoah also has a courtesy appointment in the William A. Brookshire Department of Chemical and Biomolecular Engineering and he is a member of the Hewlett-Packard Enterprise Data Science Institute. Jakoah completed his bachelors and masters in Chemistry from Illinois State University followed by his Ph.D. from Iowa State University and Ames National Laboratory under the supervision of Gordon Miller followed by postdoctoral research at the University of California, Santa Barbara in the Materials Research Laboratory with Ram Seshadri. Jakoah is now leading a multidisciplinary research group with research topics ranging from the development of persistent luminescent materials for bio-imaging to understanding the mechanical response in superhard materials all through a combination of materials synthesis, characterization, first-principles computation, and machine learning. He has published more than 85 peer-reviewed papers, earned a 2019 NSF CAREER research award, and is a 2020 Alfred P. Sloan Research Fellow in Chemistry.
Very much looking forward to the seminar – hope to see you all on Wednesday: (SGT) 9am, Wed, 9 June! https://mit.zoom.us/j/96231985116
Warmest regards, @Siyu Tian (Isaac) @kedar @Tonio
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