Thursday, March 7, 2019
2:30PM - 2:42PM
|
|
V18.00001: Bringing Electronic Structure Codes into the Modern Software Ecosystem
Ran Adler, Andrey Kutepov, Gabriel Kotliar
|
Thursday, March 7, 2019
2:42PM - 2:54PM
|
|
V18.00002: ComDMFT: a Massively Parallel Computer Package for the Electronic Structure of Correlated-Electron Systems
Sangkook Choi, Patrick Semon, Byungkyun Kang, Andrey Kutepov, Gabriel Kotliar
|
Thursday, March 7, 2019
2:54PM - 3:06PM
|
|
V18.00003: Hubbard interactions from density-functional perturbation theory
Iurii Timrov, Matteo Cococcioni, Nicola Marzari
|
Thursday, March 7, 2019
3:06PM - 3:18PM
|
|
V18.00004: RESPACK software to derive ab initio effective low-energy Hamiltonians and its extension to treat materials with strong spin-orbit interaction.
Maxime Charlebois, Yusuke Nomura, Yoshihide Yoshimoto, Terumasa Tadano, Masatoshi Imada, Kazuma Nakamura
|
Thursday, March 7, 2019
3:18PM - 3:30PM
|
|
V18.00005: Full-potential relativistic four-component Dirac–Kohn–Sham method for periodic systems using Gaussian-type functions
Marius Kadek, Michal Repisky, Kenneth Ruud
|
Thursday, March 7, 2019
3:30PM - 3:42PM
|
|
V18.00006: Density-functional theory for noncollinear magnetism: exact and approximate results on small Hubbard chains
Edward Pluhar, Carsten Ullrich
|
Thursday, March 7, 2019
3:42PM - 3:54PM
|
|
V18.00007: Metals: Automatic k-point generation for a 60% speed-up of total energy calculations
Gus Hart, Wiley S Morgan, Jeremy Jorgensen, Rodney W. Forcade
|
Thursday, March 7, 2019
3:54PM - 4:06PM
|
|
V18.00008: Get 10 materials for the price of 1: computationally efficient DFT
Jeremy Jorgensen, Thomas W. Sederberg, Gus Hart
|
Thursday, March 7, 2019
4:06PM - 4:18PM
|
|
V18.00009: Band Unfolding Made Simple
Sara García Mayo, Jose M. Soler
|
Thursday, March 7, 2019
4:18PM - 4:30PM
|
|
V18.00010: Implementation of Distortion Symmetry for the Nudged Elastic Band Method
Jason Munro, Vincent Liu, Venkatraman Gopalan, Ismaila Dabo
|
Thursday, March 7, 2019
4:30PM - 4:42PM
|
|
V18.00011: Evaluation of self-energy matrix for electrode based on real-space pseudopotential method
Shigeru Iwase, Tomoya Ono
|
Thursday, March 7, 2019
4:42PM - 4:54PM
|
|
V18.00012: On the δ-function broadening in Kubo-Greenwood equation
Pavlo Bulanchuk
|
Thursday, March 7, 2019
4:54PM - 5:06PM
|
|
V18.00013: Minimizing Reflections in Electronic Structure Calculations
Gregory Benesh, Roger Haydock
|
Thursday, March 7, 2019
5:06PM - 5:18PM
|
|
V18.00014: Long-wavelength density-functional perturbation theory
Massimiliano Stengel
|
Thursday, March 7, 2019
5:18PM - 5:30PM
|
|
V18.00015: WITHDRAWN ABSTRACT
|
