Graduate Student Seminar
October 13, 2023
12:00 p.m. ET
Scaife Hall 105
Making Artificial Intelligence Work in Materials Research
The use of modern artificial intelligence, machine learning, informatics, and other data mining approaches is a relatively new development in the chemical and materials domain. These techniques have been exceedingly successful in other application fields, and since there is no fundamental reason why they should not have a similarly transformative impact on chemical and materials research, there is now a concerted effort by the community to introduce them in this new context. These techniques hold tremendous promise for the practical realization of accelerated discovery, rational design, and inverse development of next generation materials systems. However, adapting techniques from other application domains for the study of chemical and materials systems requires a substantial rethinking and redevelopment of the existing methods. In this presentation, we will discuss our efforts along these lines.
Johannes Hachmann, University of Buffalo/New York State Center of Excellence in Materials Informatics
Hachmann is an Associate Professor of Chemical Engineering at the University at Buffalo (UB), the Director of the Engineering Science in Data Science graduate program, a Core Member of the UB Computational and Data-Enabled Science and Engineering graduate program, and a Faculty Member of the New York State Center of Excellence in Materials Informatics. He earned a Dipl.-Chem. degree (2004) after undergraduate studies at the universities of Jena and Cambridge, M.Sc. (2007) and Ph.D. (2010) degrees in Chemistry from Cornell University, and he conducted postdoctoral research at Harvard University before joining the UB faculty in 2014. The research of the Hachmann Group fuses (first-principles) molecular and materials modeling with virtual high-throughput screening and modern data science (i.e., the use of database technology, machine learning, artificial intelligence, and informatics) to advance a data-driven discovery and rational/inverse design paradigm in the chemical and materials disciplines. One of the centerpieces of the group’s efforts is the creation of an open, general-purpose software ecosystem for the data-driven design of chemical systems and the exploration of chemical space. This work was recognized with a 2018 NSF CAREER Award.
Upcoming Events
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February 7 2025
10:00 AM ET
Materials Science and Engineering
Intermediate Temperature Proton Conducting Solid Oxide Electrolysis Cells with Improved Performance and Durability, presented by Xingbo Liu, West Virginia University
McConomy Auditorium, First Floor Cohon University Center
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February 14 2025
10:00 AM ET
Materials Science and Engineering
"Epitaxial integration of dissimilar semiconductors for infrared optoelectronics," presented by Kunal Mukherjee, Stanford University
McConomy Auditorium, First Floor Cohon University Center
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February 21 2025
10:00 AM ET
Materials Science and Engineering
McConomy Auditorium, First Floor Cohon University Center
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February 28 2025
10:00 AM ET
Materials Science and Engineering
Extreme mechanics and manufacturing of materials across scales, presented by Yu Zou, University of Toronto
McConomy Auditorium, First Floor Cohon University Center
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March 14 2025
10:00 AM ET
Materials Science and Engineering
A Journey from Atoms to Materials: Computationally-Guided Discovery and Design of Functional Materials, presented by Prashun Gorai, Colorado School of Mines
McConomy Auditorium, First Floor Cohon University Center
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March 21 2025
10:00 AM ET
Materials Science and Engineering
Thermophysical and Thermochemical Properties of Transition Metal Diborides up to and above 3000 degrees, presented by Scott J. McCormack, University of California, Davis
McConomy Auditorium, First Floor Cohon University Center