The Fall 2023 MatSE 590 for graduate students consists of an exciting and jam-packed schedule. MATSE 590 is a colloquium (1-3 credits) consist of a series of individual lectures by faculty, students, or outside speakers.
Graduate students will receive a weekly email with information via @psu.edu email. Graduate students are required to attend all 590 Seminars. If you have any questions, please email GradOffice@matse.psu.edu.
Program overview presented by Prof. John Mauro
CAPS (Counseling & Psychological Services)
November 9, 2023 - "Accelerating Materials Discovery, Design, and Development with Materials Informatics"
James Saal, Director-External Research Programs, Citrine Informatics, Inc.
Abstract
Accelerating the discovery and commercialization of novel materials is necessary for maintaining economic competitiveness and timely addressing many societal issues (e.g., sustainable manufacturing and clean energy). For several decades now, simulations have complemented empirical science for such acceleration, culminating in several successful industrial applications of this approach, termed integrated computational materials engineering (ICME). In 2011, the Materials Genome Initiative (MGI) sought to apply this idea at scale across all materials industries, including a third “digital data” pillar. Materials informatics is the practical manifestation of “digital data” methods to materials science problems, including: (1) the collection, generation, and distribution of materials data, (2) the use of that data to train machine learning models for predicting process-structure-property relationships, and (3) the design of experiments using artificial intelligence (AI) algorithms based on those models.
Citrine Informatics is a software company building a scalable, enterprise-level materials informatics platform for data-driven materials and chemicals development. The Citrine Platform combines smart materials data infrastructure and AI, which accelerates development of cutting-edge materials, facilitates product portfolio optimization, and codifies research IP, enabling its reuse and preventing its loss. Citrine's customers include Panasonic, Michelin, LANXESS, and others in the materials, chemicals, and product manufacturing industries.
In this talk, the concepts around materials informatics will be introduced, Citrine’s software will be described, and several case studies demonstrating the value of materials informatics will be discussed.
Biographical Information
Dr. James Saal is the Director of External Research Programs at Citrine Informatics, where he manages Citrine’s government-funded research programs, advancing the state-of-the-art in materials informatics with academic, government, and industrial collaborators. Before joining Citrine in 2018, James was Manager of Technology at QuesTek Innovations, leading programs in alloy design and ICME methods development.
Dr. Saal earned his B.S in Materials Science and Engineering from Rice University in 2005, and his Ph.D. in Material Science and Engineering from The Pennsylvania State University in 2010, where he focused on the integration of density functional theory with CALPHAD. He continued postdoctoral study at Northwestern University, developing a high-throughput materials property database and studying Mg- and Co-based alloys. Since then, Dr. Saal has specialized in computational simulation of process-structure-property relationships, ICME design of new materials, and the use of data-driven methods in materials science. His research has included alloys, ceramics, and polymers, and diverse properties such as corrosion, additive manufacturing printability, and thermoelectric performance.
Dr. Saal is the author of over 50 peer-review publications, several patents on designed alloys, and a co-edited book on Computational Materials System Design. He currently serves as a Trustee of ASM International and is the Chair of the TMS ICME Committee.
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