APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022;
Chicago
Session Index
Session F46: Real Space Methods for the Electronic Structure Problem
Focus
Recordings Available
|
Show Abstracts |
Sponsoring Units: DCOMP
Chair: Mehmet Dogan, University of California, Berkeley
Room: McCormick Place W-470A
|
|
Tuesday, March 15, 2022
8:00AM - 8:36AM
|
|
F46.00001: Stochastic Density Functional Theory: Real- and Energy-Space Fragmentation for Noise Reduction
Invited Speaker:
Ming Chen
|
Tuesday, March 15, 2022
8:36AM - 8:48AM
|
|
F46.00002: DFT-FE — a massively parallel real-space density functional theory code using higher-order adaptive spectral finite-element discretization, and its large-scale application to study dislocation core energetics in crystalline materials
Sambit Das, Phani Motamarri, Vikram Gavini
|
Tuesday, March 15, 2022
8:48AM - 9:00AM
|
|
F46.00003: Exploring Ion Dynamics in Charged Systems using Real-Space Pseudopotential Density Functional Theory
Kai-Hsin Liou, James R Chelikowsky
|
Tuesday, March 15, 2022
9:00AM - 9:36AM
|
|
F46.00004: The Power of TDDFT in Real-Time and Real-Space: From Light Harvesting to Photoemission
Invited Speaker:
Stephan Kuemmel
|
Tuesday, March 15, 2022
9:36AM - 9:48AM
|
|
F46.00005: Implementation of Ensemble Density Functional Theory for excited states in the real-space Octopus code
Uday Panta, David A Strubbe
|
Tuesday, March 15, 2022
9:48AM - 10:00AM
|
|
F46.00006: DFT Embedding in Python for Realistically-sized Systems
Xuecheng Shao, Michele Pavanello
|
Tuesday, March 15, 2022
10:00AM - 10:36AM
|
|
F46.00007: Magnons from real-space real-time time-dependent density functional theory
Invited Speaker:
Nicolas Tancogne-Dejean
|
Tuesday, March 15, 2022
10:36AM - 10:48AM
|
|
F46.00008: Atomic fingerprinting of heteroatoms using noncontact atomic force microscopy
Dingxin Fan, James R Chelikowsky
|
Tuesday, March 15, 2022
10:48AM - 11:00AM
|
|
F46.00009: A first principles investigation of electronic charge distribution in random alloys
Yang Wang, Mariia Karabin, Markus Eisenbach, George M Stocks, Xianglin Liu, Wasim R Mondal, Hanna Terletska, Ka-Ming Tam, Wai-Ga D Ho, Vladimir Dobrosavljevic, Liviu Chioncel
|
