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  • Katherine Hollingsworth

Webinar: From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach

Updated: May 13


Webinar: Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers

Upcoming Webinar 

From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach


Materials Design introduces new state-of-the art tools for integrated multi-scale modeling of material microstructure and mesoscale properties. The power of our newly enhanced MedeA modeling environment is showcased via engineering applications. 


Microstructure modeling plays a pivotal role in understanding material behavior and enables the design of advanced materials that are crucial for numerous industries. To this end, phase field methods informed by first principles computations and atomistic simulations offer a powerful tool for modeling multi-physics phenomena occurring at length and timescales unreachable with atomistic methods alone. We present engineering examples addressing problems in hydrogen embrittlement, alloy corrosion, battery manufacturing, and semiconductor development, illustrating the current state-of-the-art in phase field simulation and its coupling to atomistic simulation methods.


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Webinar Sessions

Webinar: Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers

Tuesday, May 14th:


Live Q&A


10:00 AM PDT (USA) 


1:00 PM EDT (USA)


19:00 CEST (EUROPE)



Wednesday, May 15th:


Live Q&A


07:00 AM PDT (USA) 


10:00 AM EDT (USA)


16:00 CEST (EUROPE)


19:30 IST (INDIA)



Thursday, May 16th:


Live Q&A


08:00 CEST (EUROPE)


11:30 IST (INDIA)


14:00 CST (CHINA)


15:00 JST (JAPAN)

*Recording and Slides

Registrations will also include a link to the recording and slides after the sessions end.

 

Presenters

Dr. Leonid Kahle

Dr. Leonid Kahle


Leonid Kahle is a research scientist at Materials Design, focusing on bridging time and length scales in materials simulations via mesoscale models and machine learning.

Leonid obtained his PhD at the Ecole Polytechnique Federale de Lausanne in Switzerland in 2019, under the guidance of Nicola Marzari, on the subject of high-throughput searches for new Li-ion electrolytes with density-functional theory approaches. After his PhD, he joined IBM Research Zürich as a PostDoc, working on Natural Language Models and the problem of uncertainty quantification in deep Neural Networks.

He joined Materials Design 2 years ago, and embarked on coupling atomistic simulations with mesoscale continuum models to describe accurately - and from first principles - corrosion phenomena and developing new techniques and applications for machine-learning potentials.


Dr. Kyle Starkey

Dr. Kyle Starkey

Kyle Starkey is a Contract Researcher at Materials Design focusing on extending the modeling capabilities of MedeA into the mesoscale through the phase field method.Kyle carried out his PhD under the supervision of Anter El-Azab at Purdue University in 2022, studying mesoscale modeling of dislocation dynamics.He developed a new model for the continuum representation of dislocations at large deformations during this time. He is an expert in mesoscale modeling, theoretical model development on the mesoscale, and the finite element method.





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