Tuesday, March 7, 2023
11:30AM - 12:06PM
|
|
G28.00001: Elizabeth A. Holm
Invited Speaker:
Elizabeth Holm
|
Tuesday, March 7, 2023
12:06PM - 12:18PM
|
|
G28.00002: Predictive tight-binding model for materials design and understanding
Kevin F Garrity, Kamal Choudhary
|
Tuesday, March 7, 2023
12:18PM - 12:30PM
|
|
G28.00003: The duality between chemical potential diagrams and convex hulls
Jiadong Chen, Wenhao Sun
|
Tuesday, March 7, 2023
12:30PM - 12:42PM
|
|
G28.00004: An all-chemistries comprehensive verification of all-electron and pseudopotential DFT codes via universal common workflows
Marnik Bercx, Emanuele Bosoni, Peter Blaha, Jens Bröder, Martin Callsen, Stefaan Cottenier, Augustin Degomme, Espen Flage-Larsen, Marco Fornari, Alberto Garcia, Bonan Zhu, Gian-Marco Rignanese, Georg Kastlunger, Chris J Pickard, Matthias Krack, Daniel Wortmann, Tiziano M Müller, Thomas D Kuhne, Aliaksandr V Yakutovich, Oleg Rubel, Michael Wolloch, Sebastiaan P Huber, Nicola Marzari, Giovanni Pizzi
|
Tuesday, March 7, 2023
12:42PM - 12:54PM
|
|
G28.00005: First principles and data driven simulations of chiral matter
Hsuan Ming Yu, Amartya S Banerjee, Shashank Pathrudkar, Susanta Ghosh
|
Tuesday, March 7, 2023
12:54PM - 1:06PM
|
|
G28.00006: Direct DFT calculation from nanoscale to bulk stability of icosahedral quasicrystal
Woohyeon Baek, Sambit Das, Vikram Gavini, Wenhao Sun
|
Tuesday, March 7, 2023
1:06PM - 1:18PM
|
|
G28.00007: Why are there no metastable structures in binary rocksalts?
Matthew C Jankousky, Vladan Stevanovic
|
Tuesday, March 7, 2023
1:18PM - 1:30PM
|
|
G28.00008: Simulated Diffusion Spreadability for Characterizing the Structure and Transport Properties of Materials
Murray Skolnick, Salvatore Torquato
|
Tuesday, March 7, 2023
1:30PM - 1:42PM
|
|
G28.00009: Structural optimization in fingerprint space
Li Zhu, Shuo Tao, Rishi Rao, Xuecheng Shao
|
Tuesday, March 7, 2023
1:42PM - 1:54PM
|
|
G28.00010: Invertible neural networks and more: applications in electronic transport theory
Luca Bonaldo, Terry E Stearns, Ilaria Siloi, Nicholas A Mecholsky, Marco Fornari
|
Tuesday, March 7, 2023
1:54PM - 2:06PM
|
|
G28.00011: Why does silicon have an indirect band gap?
Emily Oliphant, Madison Brod, Jeff Snyder, Emmanouil Kioupakis, Wenhao Sun
|
Tuesday, March 7, 2023
2:06PM - 2:18PM
|
|
G28.00012: How Global is the Global Instability Index?
Kyle D Miller, James M Rondinelli
|
