Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session S19: Building the Bridge to Exascale: Applications and Opportunities for Materials, Chemistry, and Biology I

Focus Live

Show Abstracts

Sponsoring Units: DCOMP DCMP DAMOP DCP
Chair: Anouar Benali, Argonne National Laboratory

Thursday, March 18, 2021 11:30AM - 12:06PM Live		S19.00001: Accelerating Large-Scale Excited-State GW Calculations on Leadership Class HPC Systems Invited Speaker: Mauro Del Ben
Thursday, March 18, 2021 12:06PM - 12:18PM Live		S19.00002: From LSMS to MuST: Large scale first principles materials calculations at the exascale Markus Eisenbach, Xianglin Liu, Mariia Karabin, Swarnava ghosh, Yang Wang, Hanna Terletska, Wasim Mondal, Ka-Ming Tam, Yi Zhang, Liviu Chioncel
Thursday, March 18, 2021 12:18PM - 12:30PM Live		S19.00003: Recently Added Features, Scaling and Performance of the Real-Space MultiGrid (RMG) Code on Exascale Architectures Emil Briggs, Wenchang Lu, Jerry Bernholc
Thursday, March 18, 2021 12:30PM - 12:42PM Live		S19.00004: QMCPACK’s Exascale Performance Portability Strategies Paul Kent, Peter Doak, Mark Dewing, Ye Luo
Thursday, March 18, 2021 12:42PM - 12:54PM Live		S19.00005: A Pseudo-BCS Wavefunction from Density Matrix Decomposition: Application in Auxiliary-Field Quantum Monte Carlo Zhi-Yu Xiao, Hao Shi, Shiwei Zhang
Thursday, March 18, 2021 12:54PM - 1:06PM Live		S19.00006: GPU-Acceleration of the ELPA2 Distributed Eigensolver for Applications in Electronic Structure Theory Victor Yu, Jonathan Moussa, Pavel Kus, Andreas Marek, Peter Messmer, Mina Yoon, Hermann Lederer, Volker Blum
Thursday, March 18, 2021 1:06PM - 1:18PM Live		S19.00007: Discrete discontinuous basis projection (DDBP) method for large-scale electronic structure calculations. Qimen Xu, Phanish Suryanarayana, John Pask
Thursday, March 18, 2021 1:18PM - 1:30PM Live		S19.00008: MERA++: An Implementation of the Multi-scale Entanglement Renormalization Ansatz Gonzalo Alvarez
Thursday, March 18, 2021 1:30PM - 1:42PM Live		S19.00009: Matrix Product States in the Continuum and Cold Atomic Gases Clayton Peacock, Aleksandar Ljepoja, Carlos J Bolech
Thursday, March 18, 2021 1:42PM - 1:54PM Live		S19.00010: Overcoming the noncausality problem in nonlocal extensions of dynamical mean-field theory Steffen Backes, Jae-Hoon Sim, Silke Biermann
Thursday, March 18, 2021 1:54PM - 2:06PM Live		S19.00011: Coupling interoperable software for quantum simulations of materials Marco Govoni, He Ma, Nan Sheng, Sijia Dong, Francois Gygi, Giulia Galli
Thursday, March 18, 2021 2:06PM - 2:18PM Live		S19.00012: Implementation of spin-orbit coupling in the Real-space MultiGrid (RMG) code Wenchang Lu, Emil Briggs, Jerry Bernholc, Anh Pham, Panchapakesan Ganesh
Thursday, March 18, 2021 2:18PM - 2:30PM Live		S19.00013: Magnetic and charge orders in the ground state of the 2D repulsive Hubbard model Hao Xu, Mingpu Qin, Hao Shi, Yuan-Yao He, Ettore Vitali, Shiwei Zhang

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Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session S19: Building the Bridge to Exascale: Applications and Opportunities for Materials, Chemistry, and Biology I

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