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20242026
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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

Nitrogen Vacancy Centers in Hexagonal Diamond Exhibit Long Coherence Times

Gabriel Kumar, Siyuan Chen, Victor Wen-zhe Yu +1

We show that negatively charged nitrogen-vacancy (NV) centers in the hexagonal diamond polymorph lonsdaleite offer a route to spin qubits with enhanced coherence relative to their…

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

The paper introduces WEST, an open‑source plane‑wave pseudopotential code that enables large‑scale excited‑state simulations of materials using GW, Bethe‑Salpeter, and TDDFT method…

cond-mat.mtrl-sci2026

First-principles calculations of internal conversion processes in spin defects

Stefano Paolo Villani, Yu Jin, Giulia Galli

Optically active spin defects are foundational for quantum technologies, yet common approximations underestimate their internal conversion (IC) rates by orders of magnitude. We pro…

cond-mat.mtrl-sci2026

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…