Tuesday, March 5, 2024
11:30AM - 12:06PM
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G60.00001: Employing Chemical Heuristics in Computational Materials Design of Functional Materials
Invited Speaker:
David O Scanlon
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Tuesday, March 5, 2024
12:06PM - 12:18PM
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G60.00002: Active Learning: Accelerating Discovery of Optimal Optical Materials through Synergistic Computational Approaches
Victor Trinquet, Matthew Evans, Pierre-Paul De Breuck, Gian-Marco Rignanese
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Tuesday, March 5, 2024
12:18PM - 12:30PM
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G60.00003: Second-harmonic generation tensors from high-throughput density-functional perturbation theory
Victor Trinquet, Francesco Naccarato, Guillaume Brunin, Guido Petretto, Ludger Wirtz, Geoffroy Hautier, Gian-Marco Rignanese
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Tuesday, March 5, 2024
12:30PM - 12:42PM
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G60.00004: Rational design of birefringent materials
Rohan Mishra, Gwan-Yeong Jung, Guodong Ren, Pravan Omprakash, Jayakanth Ravichandran
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Tuesday, March 5, 2024
12:42PM - 12:54PM
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G60.00005: COGITO: A tool to unlock the chemistry in crystals after DFT calculations
Emily Oliphant, Wenhao Sun, Emmanouil Kioupakis
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Tuesday, March 5, 2024
12:54PM - 1:06PM
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G60.00006: Efficient modeling of optical spectra of nanocrystal ensembles
Erick I Hernandez Alvarez, Andrew M Smith, Andre Schleife
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Tuesday, March 5, 2024
1:06PM - 1:18PM
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G60.00007: Shaping and harnessing disorder in photonic materials
Mathias Casiulis, Aaron H Shih, Stefano Martiniani
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Tuesday, March 5, 2024
1:18PM - 1:30PM
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G60.00008: Analysis of the indirect to direct bandgap transition in multilayer InSe by First Principles Calculations
Nicholas A Pike, Ruth Pachter
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Tuesday, March 5, 2024
1:30PM - 1:42PM
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G60.00009: A twist for electronic and caloritronic nanoswitches
Azar Ostovan, Karolina Milowska, Carlos J. Garcıa-Cervera
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Tuesday, March 5, 2024
1:42PM - 1:54PM
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G60.00010: · Studies of thermal properties of Aluminum composites using molecular dynamics simulation
Jaejin Hwang, Jaekwang Lee
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Tuesday, March 5, 2024
1:54PM - 2:06PM
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G60.00011: Mechanical stability of body-centered cubic iron in Born-von Kármán parameter space via evolutionary computation
Amir Husen, Jorge A Munoz
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Tuesday, March 5, 2024
2:06PM - 2:18PM
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G60.00012: Nonperturbative determination of isotope-induced anomalous vibrational physics
Huan Wu, Zihao Qin, Suixuan Li, Yongjie Hu
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