85 citations · 160 across the 10 of their papers we have counts for
12 papers
Effects of residual exchange coupling on simultaneously driven spin qubits
Heun Mo Yoo, Tanner M. Janda, Victor Yu +3
Exchange coupling and microwave drives are widely used control mechanisms for spin qubits. However, the influence of exchange coupling on microwave-driven spin dynamics is not full…
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
We present WEST, an open-source plane-wave pseudopotential code for large-scale excited-state materials simulations, and describe its theoretical foundations, software architecture…
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…
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…
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…
Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange
Victor Wen-zhe Yu, Marco Govoni
We report on the use of the adaptively compressed exchange (ACE) operator to accelerate many-body perturbation theory (MBPT) calculations, including GW and the Bethe Salpet…
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
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…