activity
20232026
most citedQuantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

85 citations · 160 across the 10 of their papers we have counts for

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Showing 2026Show all

5 papers · 1 filter

cond-mat.mes-hall2026

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…

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

We present WEST, an open-source plane-wave pseudopotential code for large-scale excited-state materials simulations, and describe its theoretical foundations, software architecture…

physics.chem-ph2026

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…