New Mathematics for the Exascale: Applications to Materials Science

March 13 - June 16, 2023

Seminar Series

No schedule is available

Tuesday, March 21, 2023

Afternoon Session

14:30-15:00

Michael Taylor (Los Alamos National Laboratory)

Architector: workflows for rapid generation of sane f-block molecular

15:00-15:30

Tea Time

15:30-16:00

Han Lin Mai (Max-Planck-Institut für Eisenforschung GmbH)

Cosegregation matters in grain boundary segregation

Thursday, March 23, 2023

Afternoon Session

14:30-15:00

Maciej Buze (University of Birmingham)

30pmExploring atomistic energy landscapes through bifurcation theory, numerical continuation and deflation techniques

15:00-15:30

Tea Time

15:30-16:00

Andrew Rohskopf (Sandia National Laboratories)

Exploring model complexity in machine learned potentials with FitSNAP

Tuesday, April 4, 2023

Afternoon Session

14:30-15:00

Weiqi Chu (University of California, Los Angeles (UCLA))

A reduced-order method for electron transport with long-range interactions

15:00-15:30

Tea Time

15:30-16:00

Soumendu Bagchi (Oak Ridge National Laboratory)

Atomistic coupling of multiple physical and computational scales in materials plasticity

Thursday, April 6, 2023

Afternoon Session

14:30-15:00

Thomas Hudson (University of Warwick)

Mobilities for thermal screw dislocation motion via Large Deviations theory

15:00-15:30

Tea Time

15:30-16:00

Peter Hatton (Los Alamos National Laboratory)

Long Time-scale Molecular Dynamics Modeling of He Bubble Growth at W Grain Boundaries

Tuesday, April 11, 2023

Afternoon Session

14:30-15:00

Mira Todorova (Max Planck Institute for Sustainable Materials)

Modelling electrochemical solid/liquid interfaces from first principles

15:00-15:30

Tea Time

15:30-16:00

Jason Gibson (Los Alamos National Laboratory)

How to ask machine learning models the right questions for material discovery

Thursday, April 13, 2023

Afternoon Session

14:30-15:00

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Title not available

15:00-15:30

Tea Time

15:30-16:00

Petr Grigorev (Aix-Marseille University)

Virtual Talk: TBA

Tuesday, April 25, 2023

Afternoon Session

15:00-15:30

Tea Time

15:30-16:00

Jason Gibson (Los Alamos National Laboratory)

How to ask machine learning models the right questions for material discovery

Thursday, April 27, 2023

Afternoon Session

14:30-15:00

Maciej Buze (University of Birmingham)

Artificial microstructures: Efficient generation of curved grains with given volumes and aspect ratio

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Tuesday, May 9, 2023

Afternoon Session

14:30-15:00

Daniel Utt (OVITO GmbH)

Mapping atoms to a perfect crystal lattice: How to identify dislocations

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Thursday, May 11, 2023

Afternoon Session

14:30-15:00

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Title not available

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Tuesday, May 16, 2023

Afternoon Session

14:30-15:00

Elin Theilen (Fraunhofer MEVIS: Institute for Digital Medicine)

On digital medicine in orthopedic interventions

15:00-15:30

Tea Time

15:30-16:00

Wei Zhu (University of Alabama)

Variational models in image processing

Thursday, May 18, 2023

Afternoon Session

14:30-15:00

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Title not available

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Tuesday, May 30, 2023

Afternoon Session

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Thursday, June 1, 2023

Afternoon Session

14:30-15:00

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Title not available

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Tuesday, June 6, 2023

Afternoon Session

14:30-15:00

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Title not available

15:00-15:30

Tea Time

15:30-16:00

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Title not available

Thursday, June 8, 2023

Afternoon Session

14:30-15:00

Eva Zaat (University of Warwick)

Mathematical modelling of three point bending using asymptotics

15:00-15:30

Tea Time

15:30-16:00

()

Title not available

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