5 papers
Coupled-cluster molecular properties across the main group that extrapolate beyond training size
Wenhao He, Xu Chen, Noah Song +10
Coupled-cluster theory defines the accuracy standard for molecular electronic-structure properties but scales too steeply for routine application, whereas density-functional theory…
Dispersive readout of cavity-coupled solid-state sensor with near-unity readout fidelity
Hanfeng Wang, Shuang Wu, Matthew E. Trusheim +2
Solid-state quantum sensors based on ensembles of nitrogen-vacancy (NV) centers in diamond have emerged as powerful platforms for high-precision metrology. Coupling the NV ensemble…
Quantum Sensing of Copper-Phthalocyanine Electron Spins via NV Relaxometry
Boning Li, Xufan Li, Yifan Quan +2
Molecular spin systems are promising candidates for quantum information processing and nanoscale sensing, yet their characterization at room temperature remains challenging due to…
Exploring the mechanisms of transverse relaxation of copper(II)-phthalocyanine spin qubits
Boning Li, Yifan Quan, Xufan Li +4
Molecular spin qubits are promising candidates for quantum technologies, but their performance is limited by decoherence arising from diverse mechanisms. The complexity of the envi…
Multi-task learning for molecular electronic structure approaching coupled-cluster accuracy
Hao Tang, Brian Xiao, Wenhao He +6
Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML mode…