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

Johannes HachmannHachmann 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

  • December 6 2023

    3:00 PM ET

    Materials Science and Engineering

    Ph.D. Thesis Defense

    Chemo-Mechanical Interactions to Improve Intestinal Retention of Ingestible Medical Devices, presented by Durva Naik

    2327 Wean Hall

  • December 8 2023

    12:00 PM ET

    Materials Science and Engineering

    Graduate Student Seminar

    Unraveling the governing factors for cholesteric liquid crystal self-assembly of polysaccharides presented by CĂ©cile A. C. Chazot, Northwestern University

    Scaife Hall 105

  • December 8 2023

    1:00 PM ET

    Materials Science and Engineering

    Ph.D. Thesis Defense

    Cylindrical Grain Boundary Motion in the Isoconfigurational Ensemble, presented by Anqi Qiu

    2327 Wean Hall

  • December 12 2023

    9:00 AM ET

    Materials Science and Engineering

    Ph.D. Program Information Session

    Join us for a virtual discussion about becoming part of the Materials Science and Engineering graduate student community.

    Zoom link to be shared upon registration

  • December 12 2023

    2:00 PM ET

    Materials Science and Engineering

    Ph.D. Thesis Defense

    Ingestible Electronics for Diagnostics and Therapy, presented by Gaurav Balakrishnan

    Scott Hall 6142

  • December 13 2023

    9:00 AM ET

    Materials Science and Engineering

    Masters Program Information Session

    Join us for a virtual discussion about becoming part of the Materials Science and Engineering graduate student community.

    Zoom link to be shared upon registration