Bulletin of the American Physical Society

APS March Meeting 2019

Volume 64, Number 2

Monday–Friday, March 4–8, 2019; Boston, Massachusetts

Session Index

Session P20: First-principles Modeling of Excited-state Phenomena in Materials IX: Applications of First Principles Methods to Magnetic and Catalytic Materials

Focus Session

Show Abstracts

Sponsoring Units: DCOMP DMP GMAG
Chair: David Strubbe, University of California, Merced
Room: BCEC 157A

Wednesday, March 6, 2019 2:30PM - 3:06PM		P20.00001: Charge separation and band alignment at photo-electrochemical interfaces Invited Speaker: Ismaila Dabo
Wednesday, March 6, 2019 3:06PM - 3:18PM		P20.00002: Ground and excited states of iron-phthalocyanine: a DFT+DMFT analysis Volodymyr Turkowski, Shree Ram Acharya, Carlos Garcia-Fernandez, Nicolas Lorente, Talat S. Rahman
Wednesday, March 6, 2019 3:18PM - 3:30PM		P20.00003: Electron-phonon coupling in photoexcited Bi₂Te₃ Jose Querales-Flores, Ivana Savic, Éamonn Murray, Stephen B Fahy, Jonathan Sobota, Samuel W Teitelbaum, Takahiro Sato, Matthieu Chollet, James M Glownia, Mariano Trigo, Trevor P Bailey, Ctirad Uher, Patrick S Kirchmann, Zhi-Xun Shen, Costel R. Rotundu, Thomas Henighan, David A Reis
Wednesday, March 6, 2019 3:30PM - 3:42PM		P20.00004: Calculation of excitation energies using locally-projected real-space geminal screened electron-hole interaction kernel Peter McLaughlin, Arindam Chakraborty
Wednesday, March 6, 2019 3:42PM - 3:54PM		P20.00005: Structural parameters governing excited-state properties of self-assembling π-conjugated peptides: a classical and quantum study Bryce Thurston, Ethan Shapera, Andre Schleife, Andrew L Ferguson
Wednesday, March 6, 2019 3:54PM - 4:30PM		P20.00006: Understanding battery and catalytic reactions via core-level spectroscopies Invited Speaker: Maria Chan
Wednesday, March 6, 2019 4:30PM - 4:42PM		P20.00007: Quantum Nonlinear Ferroic Optical Hall Effect Hua Wang, Xiaofeng Qian
Wednesday, March 6, 2019 4:42PM - 4:54PM		P20.00008: Polar magneto-optical Kerr effect from antiferromagnetic M₂As (M=Cr, Mn, and Fe) under external magnetic field Kisung Kang, Krithik Puthalath, David G Cahill, Andre Schleife
Wednesday, March 6, 2019 4:54PM - 5:06PM		P20.00009: Study of LaScO₃ by electronic structure quantum Monte Carlo methods Cody Melton, Lubos Mitas
Wednesday, March 6, 2019 5:06PM - 5:18PM		P20.00010: Photoactive metal-organic frameworks for gas separation Roberta Poloni, Claudio Attaccalite, Jing Li, Aseem Rajan Kshiragar
Wednesday, March 6, 2019 5:18PM - 5:30PM		P20.00011: Electronic and Magnetic Propoerties of KTa_1−xMn_xO₃ ; (x = 0, 0.50, 0.67) Gopi Chandra Kaphle, Nirmala Adhikari

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Bulletin of the American Physical Society

APS March Meeting 2019

Volume 64, Number 2

Monday–Friday, March 4–8, 2019; Boston, Massachusetts

Session Index

Session P20: First-principles Modeling of Excited-state Phenomena in Materials IX: Applications of First Principles Methods to Magnetic and Catalytic Materials

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