Monday, March 15, 2021
11:30AM - 12:06PM
Live
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B19.00001: Polarizability and Image Potential States of Large Graphene Nanoflakes
Invited Speaker:
Kenneth Jordan
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Monday, March 15, 2021
12:06PM - 12:18PM
Live
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B19.00002: Multipole Polarizabilites of Positronium and Its Interaction with Atoms and Molecules
Jorge Charry Martínez, Matteo Barborini, Dmitry Fedorov, Alexandre Tkatchenko
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Monday, March 15, 2021
12:18PM - 12:30PM
Live
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B19.00003: Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches
Carmelo Naim, Frédéric Castet, Eduard Matito
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Monday, March 15, 2021
12:30PM - 12:42PM
Live
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B19.00004: Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials
Yan Yang, Ka Un Lao, Robert Distasio
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Monday, March 15, 2021
12:42PM - 12:54PM
Live
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B19.00005: Phase behavior and electronic properties of a conducting ferrimagnetic metal-organic framework from first principles
Alex Smith, Mike Ziebel, Sebastian Reyes-Lillo, Adam Jaffe, Jeffrey Long, Jeffrey Neaton
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Monday, March 15, 2021
12:54PM - 1:06PM
Live
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B19.00006: Predicting CO adsorption on ZnO (10-10) and (11-20) surfaces using several van der Waals corrections to density functional theory
Kyle Stoltz, Mario Borunda
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Monday, March 15, 2021
1:06PM - 1:18PM
Live
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B19.00007: Van der Waals density functional study of binding and separation of hydrocarbons in metal organic frameworks without open metal sites
Timothy Quainoo, Sydney N Lavan, Zhenfei Liu
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Monday, March 15, 2021
1:18PM - 1:30PM
Live
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B19.00008: Toward a General Non-Local Polarizability Density Functional for van der Waals Dispersion Interactions
Szabolcs Góger, Péter Szabó, Dmitry Fedorov, Alexandre Tkatchenko
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Monday, March 15, 2021
1:30PM - 1:42PM
Live
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B19.00009: van der Waals Interactions in Confined Spaces: Surprises Beyond the Random-Phase Approximation
Martin Stoehr, Mainak Sadhukhan, Yasmine S. Al-Hamdani, Jan Hermann, Alexandre Tkatchenko
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Monday, March 15, 2021
1:42PM - 1:54PM
Live
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B19.00010: Benchmark of DFT Functionals for the Interlayer Binding Energy of Bulk CrI3: A fixed-node quantum Monte Carlo study
Tom Ichibha, Jaron Krogel, Fernando A Reboredo
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Monday, March 15, 2021
1:54PM - 2:30PM
Live
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B19.00011: The measurement of van der Waals forces between two-dimensional materials and multilayer stacks in air and water
Invited Speaker:
Pavlo Gordiichuk
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