activity
20202025
most citedSelf-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory

28 citations · 52 across the 6 of their papers we have counts for

collaborators

6 papers

physics.comp-ph2025

Donor-Acceptor Pairs near Silicon Carbide surfaces

Anil Bilgin, Ian N. Hammock, Alexander A. High +1

Donor-acceptor pairs (DAPs) in wide-bandgap semiconductors are promising platforms for the realization of quantum technologies, due to their optically controllable, long-range dipo…

quant-ph2025★ 1 cited

Engineering diamond interfaces free of dark spins

Xiaofei Yu, Evan J. Villafranca, Stella Wang +10

Nitrogen-vacancy (NV) centers in diamond are extensively utilized as quantum sensors for imaging fields at the nanoscale. The ultra-high sensitivity of NV magnetometers has enabled…

cond-mat.mtrl-sci2024★ 28 cited

Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory

Yu Jin, Mariami Rusishvili, Marco Govoni +1

We present a theoretical study of the formation of self-trapped excitons (STEs) and the associated broadband emission in metal-halide perovskites CsSnBr and CsAgInCl$_6…

quant-ph2024★ 18 cited

Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows

Benchen Huang, Yi-Ting Chen, Brajesh Gupt +4

Solving the electronic structure problem of molecules and solids to high accuracy is a major challenge in quantum chemistry and condensed matter physics. The rapid emergence and de…

quant-ph2021★ 5 cited

Generalized scaling of spin qubit coherence in over 12,000 host materials

Shun Kanai, F. Joseph Heremans, Hosung Seo +6

Spin defect centers with long quantum coherence times () are key solid-state platforms for a variety of quantum applications. Recently, cluster correlation expansion (CCE) tec…

cond-mat.mtrl-sci2020

Machine Learning Dielectric Screening for the Simulation of Excited State Properties of Molecules and Materials

Sijia S. Dong, Marco Govoni, Giulia Galli

Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving th…