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NVAITC Webinar Series on AI Applications in Computational Sciences: Session 3 - AI in Materials Science

NVAITC Webinar Series on AI Applications in Computational Sciences

NVIDIA AI Technology Center Finland in collaboration with FCAI and CSC are pleased to announce a webinar series focusing on AI applications in computational sciences, with a goal of bringing together AI researchers and researchers in other fields. Each webinar will highlight a different scientific field and they are given by domain-specific experts who are using AI as part of their numerical simulation workflows. The webinars run from the beginning of March approximately every three weeks as part of the AI Across Fields Forum.

Session 3 - AI in Materials Science

20 April 2021, 10:00​

Dr. Milica Todorović (Aalto)

Abstract: The arrival of materials science data infrastructures in the past decade ushered in the era of data-driven materials science. The availability of big data led to a proliferation of AI applications in computational materials science, and a range of supervised and unsupervised algorithms and machine learning models were employed across various prediction tasks. These efforts have facilitated breakthroughs in materials optimization and design. They have also deepened our understanding of the suitability and performance of different AI tools with different tasks, promoting further research into customised model architectures, complex workflows and active learning approaches. There are many challenges yet to solve, but the considerable scientific advancement AI has brought to materials research indicates that AI is fast becoming part of the acknowledged research toolset in this discipline.

Bio: Milica Todorović is a Research Fellow and unit leader at the Department of Applied Physics, Aalto University. She gained an MSci in Physics at University College London, followed by a DPhil in Materials Science from Merton College at the University of Oxford. She went on to specialise in development and high performance computing applications of large-scale first principles calculations at the National Institute for Materials Science, Japan, and scanning probe microscopy simulations at Universidad Autonoma de Madrid before settling in Finland. Her research focuses on interfacing artificial intelligence algorithms with first principles simulations of materials with the aim to optimise material functionality.

Watch the webinar recording


NVIDIA AI Technology Center (NVAITC) is a joint research center of the Finnish Center for Artificial Intelligence FCAI, NVIDIA, and the Finnish IT Centre for Science CSC. NVAITC accelerates research, education and adoption of artificial intelligence in Finland.