3 papers
cond-mat.mtrl-sci2025
Structural Hole Traps in III-V Quantum Dots
Ezra Alexander, Alexandra Alexiu, Matthias Kick +1
Non-toxic III-V quantum dots (QDs) are plagued with a higher density of performance-limiting trap states than II-VI and IV-VI QDs. Such trap states are generally understood to aris…
cond-mat.mtrl-sci2024
Triplet Exciton Sensitization of Silicon Mediated by Defect States in Hafnium Oxynitride
Narumi Nagaya, Alexandra Alexiu, Collin F. Perkinson +5
Singlet exciton fission has the potential to increase the efficiency of crystalline silicon solar cells beyond the conventional single junction limit. Perhaps the largest obstacle…
physics.chem-ph2024
Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals
Inkoo Kim, Daun Jeong, Leah Weisburn +11
Modern graphics processing units (GPUs) provide an unprecedented level of computing power. In this study, we present a high-performance, multi-GPU implementation of the analytical…