Wednesday, March 7, 2018
11:15AM - 11:27AM
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L18.00001: Geometrical Observables of the Electronic Ground State
Raffaele Resta, Antimo Marrazzo
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Wednesday, March 7, 2018
11:27AM - 11:39AM
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L18.00002: Compressed Modes for Topological Insulators using Eigenspace Projection
Bradley Magnetta, Vidvuds Ozolins, Jiatong Chen
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Wednesday, March 7, 2018
11:39AM - 11:51AM
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L18.00003: Benchmarking the performance of the SCAN meta-GGA functional for solid-state thermodynamics
Eric Isaacs, Christopher Wolverton
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Wednesday, March 7, 2018
11:51AM - 12:03PM
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L18.00004: Accurate Critical Pressures for Structural Phase Transitions of Group IV, III-V, and
II-VI Compounds from the SCAN Density Functional
Chandra Shahi, Jianwei Sun, John Perdew
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Wednesday, March 7, 2018
12:03PM - 12:15PM
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L18.00005: A SCAN perspective on the puzzle of the α ↔γ phase transition of Ce
Abhirup Patra, Chandra Shahi, Puskar Bhattarai, John Perdew
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Wednesday, March 7, 2018
12:15PM - 12:27PM
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L18.00006: Importance of van der Waals interaction on structural, vibrational, and thermodynamics properties of NaCl
Lucy Assali, Michel Marcondes, Renata Wentzcovitch
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Wednesday, March 7, 2018
12:27PM - 12:39PM
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L18.00007: Correlation Energy of the Uniform Electron Gas Revisited
Puskar Bhattarai, Chandra Shahi, Abhirup Patra, John Perdew
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Wednesday, March 7, 2018
12:39PM - 12:51PM
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L18.00008: Correlation matrix renormalization theory for correlated-electron materials and application to crystalline phases of atomic hydrogen
Cai-Zhuang Wang, Xin Zhao, Jun Liu, Yongxin Yao, Kai-Ming Ho
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Wednesday, March 7, 2018
12:51PM - 1:03PM
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L18.00009: A full-potential approach to the solution of core states
Ziyin Liu, Xianglin Liu, Yang Wang
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Wednesday, March 7, 2018
1:03PM - 1:15PM
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L18.00010: All-electron explicitly correlated calculations of S- and P-states of beryllium atom
Sergiy Bubin
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Wednesday, March 7, 2018
1:15PM - 1:27PM
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L18.00011: Understanding excited-states of light-harvesting chromophores with ab initio many-body perturbation theory
Samia Hamed, Milan Delor, Fabien Bruneval, Naomi Ginsberg, Jeffrey Neaton
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Wednesday, March 7, 2018
1:27PM - 1:39PM
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L18.00012: First-principles Studies of Trapping States Associated with Impurities and Native Defects in Halide Scintillator Phosphor Materials and their Impact on Optical and Gamma Ray Detection Properties
Andrew Canning, Mauro Del Ben, E. Bourret-Courchesne, Gregory Bizarri
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Wednesday, March 7, 2018
1:39PM - 1:51PM
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L18.00013: GW Computations via GPU-GPU Message Passing: A path to High-throughput
Nicholas Thompson, Jie Zhang
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Wednesday, March 7, 2018
1:51PM - 2:03PM
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L18.00014: QSGW+G method and its application to FeSb2
Yongxin Yao, Sangkook Choi, Nicola Lanata, Walber Brito, Gabriel Kotliar
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Wednesday, March 7, 2018
2:03PM - 2:15PM
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L18.00015: Roles of Hydrogen Partial Pressure in Controlled Sulfidation and Nucleation Process of Molybdenum Oxide*
Chunyang Sheng, Sungwook Hong, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta
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