Wednesday, March 7, 2018
8:00AM - 8:12AM
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K02.00001: Finding Stationary States in Density Functional Theory Using Imaginary Time Propagation
Cedric Flamant, Grigory Kolesov, Efstratios Manousakis, Efthimios Kaxiras
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Wednesday, March 7, 2018
8:12AM - 8:24AM
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K02.00002: Construction of Interatomic Potentials and Mechanical Loss in Nb2O5
Maher Yazback, Chris Billman, Alec Mishkin, Hai-Ping Cheng
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Wednesday, March 7, 2018
8:24AM - 8:36AM
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K02.00003: Spin–lattice simulations of cobalt and iron–cobalt alloys with LAMMPS
Julien Tranchida, Aidan Thompson, Pascal Thibaudeau, Attila Cangi, Todd Monson, Eric Langlois, Jamin Pillars
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Wednesday, March 7, 2018
8:36AM - 8:48AM
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K02.00004: The MULTIBINIT software project
Alexandre Martin, Jordan Bieder, Serguei Prokhorenko, Philippe Ghosez
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Wednesday, March 7, 2018
8:48AM - 9:00AM
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K02.00005: Electrical Percolation in Multicomponent Composites: Monte Carlo Simulation and Experiment
Xiaojuan Ni, Chao Hui, Ninghai Su, Raymond Cutler, Feng Liu
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Wednesday, March 7, 2018
9:00AM - 9:12AM
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K02.00006: Correct initialization and update method of the local simulation for electrostatic interactions
Xiaozheng Duan, Issei Nakamura
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Wednesday, March 7, 2018
9:12AM - 9:24AM
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K02.00007: Information based structure determination of amorphous carbon
Bishal Bhattarai, Anup Pandey, Parthapratim Biswas, David Drabold
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Wednesday, March 7, 2018
9:24AM - 9:36AM
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K02.00008: Design of Metamaterials for Mass Diffusion
Juan Restrepo-Flórez, Martin Maldovan
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Wednesday, March 7, 2018
9:36AM - 9:48AM
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K02.00009: On design of molecular photo-triggers for photochemical decomposition in high explosives
Maxim Makeev
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Wednesday, March 7, 2018
9:48AM - 10:00AM
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K02.00010: Improvement of accuracy of wave-function-matching technique for first-principles electron-transport calculation
Tomoya Ono, Shigeru Tsukamoto
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Wednesday, March 7, 2018
10:00AM - 10:12AM
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K02.00011: Elucidating the cluster versus crystal growth of the Solid Electrolyte Interphase components
Asma Marzouk, Fernando Soto, Kie Hankins, Perla Balbuena, Fadwa El-Mellouhi
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Wednesday, March 7, 2018
10:12AM - 10:24AM
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K02.00012: Enhancing the predictive capability of modified Paschen curve models for direct current field emission assisted (FEA) microdischarges
Jiba Dahal, Venkattraman Ayyaswamy
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Wednesday, March 7, 2018
10:24AM - 10:36AM
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K02.00013: Enhancing the electrode potential in Li-ion battery through atomic cluster approach
Anoop Kushwaha
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