New Mathematics for the Exascale: Applications to Materials Science

March 13 - June 16, 2023

Seminar Series

All times in this Schedule are Pacific Time (PT)

Tuesday, March 21, 2023

2:30 - 3:00
Michael Taylor (Los Alamos National Laboratory)

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

3:00 - 3:30 Tea Time
3:30 - 4:00
Han Lin Mai (Max-Planck-Institut für Eisenforschung GmbH)

Cosegregation matters in grain boundary segregation


Thursday, March 23, 2023

2:30 - 3:00
Maciej Buze (Heriot-Watt University)

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

3:00 - 3:30 Tea Time
3:30 - 4:00
Andrew Rohskopf (Sandia National Laboratories)

Exploring model complexity in machine learned potentials with FitSNAP


Tuesday, April 4, 2023

2:30 - 3:00
Weiqi Chu (University of California, Los Angeles (UCLA))

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

3:00 - 3:30 Tea Time
3:30 - 4:00
Soumendu Bagchi (Los Alamos National Laboratory)

Atomistic coupling of multiple physical and computational scales in materials plasticity


Thursday, April 6, 2023

2:30 - 3:00
Thomas Hudson (University of Warwick)

Mobilities for thermal screw dislocation motion via Large Deviations theory

3:00 - 3:30 Tea Time
3:30 - 4:00
Peter Hatton (Los Alamos National Laboratory)

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


Tuesday, April 11, 2023

2:30 - 3:00
Mira Todorova (Max-Planck-Institut für Eisenforschung GmbH)

Modelling electrochemical solid/liquid interfaces from first principles

3:00 - 3:30 Tea Time
3:30 - 4:00
Jason Gibson (Los Alamos National Laboratory)

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


Thursday, April 13, 2023

2:30 - 3:00

To Be Announced

3:00 - 3:30 Tea Time
3:30 - 4:00
Petr Grigorev (Aix-Marseille University)

Virtual Talk: TBA


Tuesday, April 25, 2023

3:00 - 3:30 Tea Time
3:30 - 4:00
Jason Gibson (Los Alamos National Laboratory)

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


Thursday, April 27, 2023

2:30 - 3:00
Maciej Buze (Heriot-Watt University)

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

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Tuesday, May 9, 2023

2:30 - 3:00
Daniel Utt (OVITO GmbH)

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

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Thursday, May 11, 2023

2:30 - 3:00

To Be Announced

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Tuesday, May 16, 2023

2:30 - 3:00
Elin Theilen (Fraunhofer MEVIS: Institute for Digital Medicine)

On digital medicine in orthopedic interventions

3:00 - 3:30 Tea Time
3:30 - 4:00
Wei Zhu (University of Alabama)

Variational models in image processing


Thursday, May 18, 2023

2:30 - 3:00

To Be Announced

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Tuesday, May 30, 2023

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Thursday, June 1, 2023

2:30 - 3:00

To Be Announced

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Tuesday, June 6, 2023

2:30 - 3:00

To Be Announced

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced


Thursday, June 8, 2023

2:30 - 3:00
Eva Zaat (University of Warwick)

Mathematical modelling of three point bending using asymptotics

3:00 - 3:30 Tea Time
3:30 - 4:00

To Be Announced