56 citations · 105 across the 4 of their papers we have counts for
4 papers
Correlation-Converged Virtual Orbitals for Accurate and Efficient Quantum Molecular Simulations
Qian Wang, Calvin Ku, Jyh-Pin Chou +3
Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inade…
Accurate harmonic vibrational frequencies for diatomic molecules via quantum computing
Shih-Kai Chou, Jyh-Pin Chou, Alice Hu +2
During the noisy intermediate-scale quantum (NISQ) era, quantum computational approaches refined to overcome the challenge of limited quantum resources are highly valuable. However…
Giant shift upon strain on the fluorescence spectrum of VN color centers in -BN
Song Li, Jyh-Pin Chou, Alice Hu +5
We study the effect of strain on the physical properties of the nitrogen antisite-vacancy pair in hexagonal boron nitride (-BN), a color center that may be employed as a quantum…
Oxygenated (113) diamond surface for nitrogen-vacancy quantum sensors with preferential alignment and long coherence time from first principles
Song Li, Jyh-Pin Chou, Jie Wei +3
Shallow nitrogen-vacancy (NV) center in diamond is promising in quantum sensing applications however its sensitivity has been limited by surface terminators and defects. There is a…