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 C20: First-Principles Modeling of Excited-State Phenomena in Materials II: Complex Materials and Defects

Focus Session Live

Show Abstracts

Sponsoring Units: DCOMP DCP DMP
Chair: Vojtech Vlcek, University of California, Santa Barbara

Monday, March 15, 2021 3:00PM - 3:36PM Live		C20.00001: Ab Initio Quantum Dynamics in Nanoscale Materials Invited Speaker: Oleg Prezhdo
Monday, March 15, 2021 3:36PM - 3:48PM Live		C20.00002: The impact of point defects and temperature on the excitonic properties of monolayer germanium selenide Tianlun Huang, Sahar Sharifzadeh
Monday, March 15, 2021 3:48PM - 4:00PM Live		C20.00003: The Spin-Flip Bethe-Salpeter Equation approach to transition metal dimers and defects in solids Bradford Barker, David A Strubbe
Monday, March 15, 2021 4:00PM - 4:12PM Live		C20.00004: Study of optical properties of CuI from first principles Brian Robinson, Andre Schleife
Monday, March 15, 2021 4:12PM - 4:24PM Live		C20.00005: First-principles Studies of Tl activated Scintillator Phosphor Materials: Towards an understanding of the Scintillation mechanism Andrew Canning, Mauro Del Ben, Shivani Srivastava, Jaroslaw Glodo
Monday, March 15, 2021 4:24PM - 4:36PM Live		C20.00006: An energetics perspective on why there are so few triplet–triplet annihilation emitters Xiaopeng Wang, Rithwik Tom, Xingyu Alfred Liu, Daniel congreve, Noa Marom
Monday, March 15, 2021 4:36PM - 4:48PM Live		C20.00007: Optical properties of qubits from many-body perturbation theory: the boron vacancy in 2D hBN Francesco Libbi, Pedro Melo, Zeila Zanolli, Matthieu Verstraete, Nicola Marzari
Monday, March 15, 2021 4:48PM - 5:00PM Live		C20.00008: Assessing Zethrene Derivatives as Singlet Fission Candidates Based on Multiple Descriptors Xingyu Alfred Liu, Rithwik Tom, Siyu Gao, Noa Marom
Monday, March 15, 2021 5:00PM - 5:12PM Live		C20.00009: Time-dependent density functional theory study of nitrogen-vacancy centers in diamond under particle irradiation Tatiane Pereira Dos Santos, Andre Schleife
Monday, March 15, 2021 5:12PM - 5:24PM Live		C20.00010: Electronic structure of (organic)-inorganic metal halide perovskites: the dilemma of choosing the right functional Cecilia Vona, Dmitrii Nabok, Claudia Draxl
Monday, March 15, 2021 5:24PM - 5:36PM Live		C20.00011: Radiation-induced effects in solar cells for future space missions: a combined Monte Carlo and ab-initio study of proton impact, electronic stopping and threshold displacement energy Fabiana Da Pieve, Natalia E. Koval, Daniel Muñoz-Santiburcio, Jos Teunissen, Emilio Artacho
Monday, March 15, 2021 5:36PM - 5:48PM On Demand		C20.00012: Engineering Optical Excitations of 2D materials with Defects and Molecules Dan Wang, Diana Qiu
Monday, March 15, 2021 5:48PM - 6:00PM Not Participating		C20.00013: Spin-wave dispersion of Co₂Mn_1-xFe_xSi based on the quasi-particle self-consistent GW calculation Haruki Okumura, Kazunori Sato, Katsuhiro Suzuki, Takao Kotani

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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 C20: First-Principles Modeling of Excited-State Phenomena in Materials II: Complex Materials and Defects

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