activity
20212026
most citedExcited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory

45 citations · 172 across the 19 of their papers we have counts for

collaborators

19 papers

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2025★ 6 cited

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…

cond-mat.mtrl-sci2025★ 16 cited

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…

cond-mat.mtrl-sci2025★ 13 cited

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…

cond-mat.str-el2025

Strongly correlated states of transition metal spin defects: the case of an iron impurity in aluminum nitride

Leon Otis, Yu Jin, Victor Wen-zhe Yu +3

We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We con…

cond-mat.mtrl-sci2024★ 7 cited

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…

cond-mat.mtrl-sci2024

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…

physics.chem-ph2024

Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects

Jiachen Li, Yu Jin, Jincheng Yu +2

The particle-particle random phase approximation (ppRPA) within the hole-hole channel was recently proposed as an efficient tool for computing excitation energies of point defects…

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★ 12 cited

Temperature dependent spin-phonon coupling of boron-vacancy centers in hexagonal boron nitride

Zhongyuan Liu, Ruotian Gong, Benchen Huang +9

The negatively charged boron-vacancy center () in hexagonal boron nitride (hBN) has recently emerged as a highly promising quantum sensor. Compared to th…

physics.chem-ph2024★ 15 cited

Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations

Jiachen Li, Yu Jin, Jincheng Yu +2

We present an efficient particle-particle random phase approximation (ppRPA) approach that predicts accurate excitation energies of point defects, including the nitrogen-vacancy (N…

quant-ph2023★ 5 cited

Quantum spin probe of single charge dynamics

Jonathan C. Marcks, Mykyta Onizhuk, Yu-Xin Wang +9

Electronic defects in semiconductors form the basis for many emerging quantum technologies. Understanding defect spin and charge dynamics in solid state platforms is crucial to dev…

cond-mat.mtrl-sci2023★ 45 cited

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…

cond-mat.mes-hall2023★ 6 cited

Microwave-based quantum control and coherence protection of tin-vacancy spin qubits in a strain-tuned diamond membrane heterostructure

Xinghan Guo, Alexander M. Stramma, Zixi Li +19

Robust spin-photon interfaces in solids are essential components in quantum networking and sensing technologies. Ideally, these interfaces combine a long-lived spin memory, coheren…

quant-ph2023★ 19 cited

Donor-Acceptor Pairs in Wide-Bandgap Semiconductors for Quantum Technology Applications

Anil Bilgin, Ian Hammock, Jeremy Estes +4

We propose a quantum science platform utilizing the dipole-dipole coupling between donor-acceptor pairs (DAPs) in wide bandgap semiconductors to realize optically controllable, lon…

cond-mat.mtrl-sci2022

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…

quant-ph2021

Five-second coherence of a single spin with single-shot readout in silicon carbide

Christopher P. Anderson, Elena O. Glen, Cyrus Zeledon +11

An outstanding hurdle for defect spin qubits in silicon carbide (SiC) is single-shot readout - a deterministic measurement of the quantum state. Here, we demonstrate single-shot re…