Tuesday, March 6, 2018
8:00AM - 8:36AM
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E02.00001: Dynamical density functional theory for the collective behavior of active particles
Invited Speaker:
Hartmut Loewen
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Tuesday, March 6, 2018
8:36AM - 8:48AM
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E02.00002: A Density Functional Theory Study of Magnetic Fields Effects on the Intermolecular Interactions
Hemanadhan Myneni, Dariusz Kedziera, Jan Andzelm, Erik Tellgren, Trygve Helgaker, Krzysztof Szalewicz
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Tuesday, March 6, 2018
8:48AM - 9:00AM
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E02.00003: Fitting a Round Peg into a Round Hole --
Constructing an Asymptotically Correct Generalized Gradient Approximation.
Antonio Cancio, Kieron Burke, Guo Chen, Brandon Krull
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Tuesday, March 6, 2018
9:00AM - 9:12AM
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E02.00004: Benchmark of computationally efficient self-interaction corrections using Fermi orbitals (FO-SIC) in DFT.
Fredy Aquino, Bryan Wong
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Tuesday, March 6, 2018
9:12AM - 9:24AM
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E02.00005: Ultra Long-Range Ab Initio Calculations
Tristan Müller, Sangeeta Sharma, Eberhard K Gross, John Dewhurst
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Tuesday, March 6, 2018
9:24AM - 10:00AM
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E02.00006: Joint Density-Functional Theory
Invited Speaker:
Tomas Arias
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Tuesday, March 6, 2018
10:00AM - 10:12AM
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E02.00007: Scalability of DFT protocols for calculating quantum work in many-body systems
Marcela Trujillo, Krissia Zawadzki, Roberto Serra, Irene D'Amico
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Tuesday, March 6, 2018
10:12AM - 10:24AM
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E02.00008: An a priori Prediction of the Accuracy of Approximate Density Functional Theories
Michelle Kelley, Tomas Arias
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Tuesday, March 6, 2018
10:24AM - 10:36AM
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E02.00009: Modeling Phase Transition in Battery Electrodes Using the Coupled Cahn-Hilliard – Phase Field Crystal Methods
Ananya Balakrishna, W. Craig Carter
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Tuesday, March 6, 2018
10:36AM - 10:48AM
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E02.00010: Improved Understanding of the Adsorption of Aromatic Molecules from Recent meta-GGA’s
SANTOSH ADHIKARI, Bimal Neupane, Adrienn Ruzsinszky
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Tuesday, March 6, 2018
10:48AM - 11:00AM
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E02.00011: One-electron energy spectra of isolated atoms via coupled-cluster singles and doubles
Hirofumi Nishi, Taichi Kosugi, Yoritaka Furukawa, Yu-ichiro Matsushita
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