45 citations · 172 across the 19 of their papers we have counts for
11 papers · 1 filter
First-principles cumulant approach to the vibronic structure of spin defects
Jinsoo Park, Yu Jin, Arpan Kundu +2
Color centers in wide-band-gap semiconductors are leading platforms for solid-state quantum technologies, yet a quantitative description of their vibronic structure has remained el…
Analytical Forces from the Bethe-Salpeter Equation for Large-Scale Excited-State Relaxation
Yu Jin, Victor Wen-zhe Yu, Marco Govoni +1
We present an efficient plane-wave implementation of analytical nuclear forces for electronic excited states described by the Bethe-Salpeter equation (BSE). The formulation combine…
The WEST code for large-scale excited-state materials simulations
Victor Wen-zhe Yu, Siyuan Chen, Yu Jin +5
We present WEST, an open-source plane-wave pseudopotential code for large-scale excited-state materials simulations, and describe its theoretical foundations, software architecture…
Towards dislocation-driven quantum interconnects
Cunzhi Zhang, Victor Wen-zhe Yu, Yu Jin +4
A central problem in the deployment of quantum technologies is the realization of robust architectures for quantum interconnects. We propose to engineer interconnects in semiconduc…
Advances in Quantum Defect Embedding Theory
Siyuan Chen, Victor Wen-zhe Yu, Yu Jin +2
Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with correlated electrons localized within a given region of space, fo…
First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation
Yu Jin, Jinsoo Park, Marquis M. McMillan +9
Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processe…
GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems
Victor Wen-zhe Yu, Yu Jin, Giulia Galli +1
We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical abso…
An NV- center in magnesium oxide as a spin qubit for hybrid quantum technologies
Vrindaa Somjit, Joel Davidsson, Yu Jin +1
Recent predictions suggest that oxides, such as MgO and CaO, could serve as hosts of spin defects with long coherence times and thus be promising materials for quantum applications…
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…
Excited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory
Yu Jin, Victor Wen-zhe Yu, Marco Govoni +2
We present a formulation of spin-conserving and spin-flip, hybrid time-dependent density functional theory (TDDFT), including the calculation of analytical forces, which allows for…
Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond
Yu Jin, Marco Govoni, Giulia Galli
A comprehensive description of the optical cycle of spin defects in solids requires the understanding of the electronic and atomistic structure of states with different spin multip…