Events: 2022/04
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- 11 Apr 2022
- 10:00 AM EDT
- to 11 Apr 2022
- 10:45 AM EDT
Category: Webinar
Abstract: In the first session, Dr. Klimeck will briefly overview ABACUS and demonstrate the crystal viewer tool. With crystal viewer, students can start with the visualization of a standard Silicon text book unit cell, then expand the view to a larger crystal and immerse themselves into the...
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- 13 Apr 2022
- 1:30 PM EDT
- to 13 Apr 2022
- 2:30 PM EDT
Message-Passing Neural Networks for Molecular Property Prediction Using Chemprop
Category: Workshop
Abstract: Chemprop is an open-source implementation of a directed message passing neural network (D-MPNN) that has been demonstrated to be successful in predicting a variety of molecular properties, including solvation properties, optical properties, infrared spectra, and toxicity. The...
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- 18 Apr 2022
- 10:00 AM EDT
- to 18 Apr 2022
- 10:45 AM EDT
nanoHUB Recitation Series for Semiconductor Education and Workforce Development: PN Junctions
Category: Webinar
Abstract: In the second session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate the PN Junction Lab. With the PN Junction Lab, students can explore band edge diagrams and charge distributions as a function of bias. They can see how the bands move and how the depletion...
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- 27 Apr 2022
- 10:00 AM EDT
- to 27 Apr 2022
- 10:45 AM EDT
Category: Webinar
Abstract: In the third session, Dr. Gerhard Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite...