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 E19: Real Space Methods for the Electronic Structure Problem: Dynamics and Applications

Sponsoring Units: DCOMP
Chair: Angel Rubio, Max Planck Inst Structure & Dynamics of Matter; Center for Computational Quantum Physics Flatiron Institute, Simons Foundation NY, USA

Tuesday, March 16, 2021 8:00AM - 8:36AM Live		E19.00001: Real space and real time electron dynamics simulations for attosecond physics in solids Invited Speaker: Shunsuke Sato
Tuesday, March 16, 2021 8:36AM - 8:48AM Live		E19.00002: A Real Space Approach to Uniqueness in Polarization Shoham Sen, Yang Wang, Timothy Breitzman, Pradeep Sharma, Kaushik Dayal
Tuesday, March 16, 2021 8:48AM - 9:00AM Live		E19.00003: A Grid-based One-electron Model for Describing Non-valence Correlation Bound Anions in Molecules and Clusters Devin Mulvey, Tae Hoon Choi, Vamsee K. Voora, Tijo Vazhappilly, Kenneth Jordan
Tuesday, March 16, 2021 9:00AM - 9:12AM Live		E19.00004: Extended Lagrangian Born-Oppenheimer Molecular Dynamics with Numeric Atom-Centered Orbitals Konstantin Lion, Mariana Rossi, Anders M. N. Niklasson, Matthias Scheffler, Claudia Draxl
Tuesday, March 16, 2021 9:12AM - 9:24AM Live		E19.00005: Optical excitations of α–RuCl₃ using real-space quantum Monte Carlo Abdulgani Annaberdiyev, Guangming Wang, Lubos Mitas
Tuesday, March 16, 2021 9:24AM - 9:36AM Live		E19.00006: Dielectric Screening in Large Silicon Nanocrystals from Real-Space Pseudopotential Calculations Timothy Liao, Kai-Hsin Liou, James Chelikowsky
Tuesday, March 16, 2021 9:36AM - 9:48AM Live		E19.00007: Superconductivity in boron-doped crystalline and amorphous carbon Yuki Sakai, James Chelikowsky, Marvin L Cohen
Tuesday, March 16, 2021 9:48AM - 10:00AM Live		E19.00008: Using real-space simulations of non-contact atomic force microscopy to distinguish functional groups, atomic species and molecular geometries in organic molecules Dingxin Fan, Yuki Sakai, James Chelikowsky
Tuesday, March 16, 2021 10:00AM - 10:12AM Live		E19.00009: PyQMC: an all-Python real-space quantum Monte Carlo code William Wheeler, Shivesh Pathak, Jo?o N. B. Rodrigues, Cooper Lorsung, Yueqing Chang, Yiqing Zhou, Brian Busemeyer, Kiel T Williams, Alexander Munoz, Lucas Wagner
Tuesday, March 16, 2021 10:12AM - 10:24AM Live		E19.00010: Cumulant Green’s function calculations of the asymmetry of 4f_7/2peaks in the XPS of Au and Pt Charles Cardot, Joshua Kas, John Rehr, Fernando Vila, Joe Woicik
Tuesday, March 16, 2021 10:24AM - 10:36AM Live		E19.00011: Speeding up excited-states calculations using interpolative separable density fitting Weiwei Gao, James Chelikowsky
Tuesday, March 16, 2021 10:36AM - 10:48AM On Demand		E19.00012: Modeling the Opening SARS-CoV-2 Spike: an Investigation of its Dynamic Electro-Geometric Properties Anna Kucherova, Selma Strango, Shahar Sukenik, maxime theillard

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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 E19: Real Space Methods for the Electronic Structure Problem: Dynamics and Applications

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