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Materials Modeling with Machine Learning – Extending the Reach of ab initio Methods to the Engineering Scale

Join Gus Hart (BYU), Bill Curtin (EPFL); with Clint Geller, Volker Eyert, Clive Freeman, and Erich Wimmer (Materials Design).

This interactive live panel discussion and Q&A will focus on machine learning potential applications in materials modeling and simulation. Machine Learning Potentials (MLPs) provide a new route to efficient, high fidelity calculations for complex systems. The panel will discuss the current state of the art and ongoing and future developments in MLP technology, highlighting their implications for engineering-scale materials and process simulation.

The interactive panel session will be open to all registered UGM attendees and will be held live at one time worldwide on October 26. The recorded discussion will then be available to meeting attendees online - though the recording will of course be non-interactive.

roundtable-recording

Video

Materials Modeling with Machine Learning – Extending the Reach of ab initio Methods to the Engineering Scale

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Dr. Erich Wimmer
Chief Scientific Officer

Dr. Erich Wimmer is co-founder, Chief Scientific Officer, and Chairman of the Board of Materials Design. He received an engineering degree in 1974 from the University of Technology in Vienna, Austria, and a doctoral degree in chemistry in 1977 from the same institution. As research associate with Prof. A. J. Freeman at Northwestern University, Illinois, USA, Dr. Wimmer was instrumental in the development of the highly accurate FLAPW method for calculating structural and electronic properties of solids and surfaces. After his “Habilitation” at the University of Vienna, he moved in 1985 to the US joining the supercomputer company Cray Research in Minnesota as Technical Director, where he initiated and headed an industrial consortium to develop a new generation of software for molecular and materials modeling ("UniChem"). In 1992 he was hired by Biosym Technologies in San Diego to start an industrial consortium in electronic, optical, and magnetic materials. In 1999 he became a co-founder of the company Materials Design, where he is leading a contract research team working on a wide range of industrial materials problems including microelectronics, hydrogen pickup in structural materials of nuclear reactors, optimization of chemical processes such as CO2 capture, heterogeneous catalysis, and materials for fusion devices. Recent work involves the application of machine-learning techniques and multiscale modeling. Dr. Wimmer is author and co-author of over 130 scientific publications and book contributions. He has given numerous invited talks worldwide. Dr. Wimmer has been selected as “Outstanding Referee” by the American Physical Society. He is also member of the Materials Research Society and the American Nuclear Society and he serves as chairman of the industrial advisory board of the Swiss research effort MARVEL.

Professor Gus Hart
Professor

Gus Hart studies and teaches materials physics to help change the world by inventing algorithms for discovering the materials of tomorrow

Professor William Curtin
Full Professor

The major theme of Professor Curtin's research is modeling of mechanical behavior of materials, with special emphases on fracture and multiscale modeling

Clint Geller
Senior Advisor Scientist

Dr. Clint Geller joined Materials Design, Inc. in June of 2020. He is a recently retired Senior Advisor Scientist (previously called “Advisory Scientist”) with the Naval Nuclear Laboratory (Bettis site, near Pittsburgh), where he was employed for over 40 years.

Clive Freeman
CEO and President

Dr. Volker Eyert
Senior Scientist

With his strong background in ab initio methods and code development, Dr. Eyert works on a large range of materials classes including transition-metal chalcogenides with extraordinary cooperative phenomena such as metal-insulator transitions and magnetic instabilities.

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