From the 1 of 9 linked papers with an AI index.
9 papers
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…
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
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…
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
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…