276 citations · 791 across the 22 of their papers we have counts for
22 papers
High-contrast plasmonic-enhanced shallow spin defects in hexagonal boron nitride for quantum sensing
Xingyu Gao, Boyang Jiang, Andres E. Llacsahuanga Allcca +9
The recently discovered spin defects in hexagonal boron nitride (hBN), a layered van der Waals material, have great potential in quantum sensing. However, the photoluminescence and…
Non-reciprocal energy transfer through the Casimir effect
Zhujing Xu, Xingyu Gao, Jaehoon Bang +2
A fundamental prediction of quantum mechanics is that there are random fluctuations everywhere in a vacuum because of the zero-point energy. Remarkably, quantum electromagnetic flu…
An adaptive planewave method for electronic structure calculations
Beilei Liu, Huajie Chen, Geneviève Dusson +2
We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error…
Femtosecond Laser Writing of Spin Defects in Hexagonal Boron Nitride
Xingyu Gao, Siddhant Pandey, Mehran Kianinia +5
Optically active spin defects in wide-bandgap materials have many potential applications in quantum information and quantum sensing. Spin defects in two-dimensional layered van der…
Thermal equilibrium spin torque: Near-field radiative angular momentum transfer in magneto-optical media
Xingyu Gao, Chinmay Khandekar, Zubin Jacob +1
Spin and orbital angular momentum of light plays a central role in quantum nanophotonics as well as topological electrodynamics. Here, we show that the thermal radiation from finit…
5D cooling and nonlinear dynamics of an optically levitated nanodumbbell
Jaehoon Bang, Troy Seberson, Peng Ju +5
Optically levitated nonspherical particles in vacuum are excellent candidates for torque sensing, rotational quantum mechanics, high-frequency gravitational wave detection, and mul…
Ultrasensitive torque detection with an optically levitated nanorotor
Jonghoon Ahn, Zhujing Xu, Jaehoon Bang +3
Torque sensors such as the torsion balance enabled the first determination of the gravitational constant by Cavendish and the discovery of Coulomb's law. Torque sensors are also wi…
A first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation
Ya-Fan Zhao, Shou-Rui Li, Xing-Yu Gao +2
We have performed first principles study for bismuth crystal structure at pressure from 0~14 GPa based on structure search and quasi-harmonic approximation. A new stable phase with…
A structural modeling approach to solid solutions based on the similar atomic environment
Fuyang Tian, De-Ye Lin, Xingyu Gao +2
Solid solution is an important way to enhance the structural and functional performances of materials. In this work, we develop a structural modeling approach to solid solutions ba…
High-speed quantum transducer with a single-photon emitter in a 2D resonator
Xingyu Gao, Zhang-qi Yin, Tongcang Li
Quantum transducers can transfer quantum information between different systems. Microwave-optical photon conversion is important for future quantum networks to interconnect remote…
Applicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems
Yuzhi Zhou, Han Wang, Yu Liu +2
Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional t…
The optimal particle-mesh interpolation basis
Han Wang, Jun Fang, Xingyu Gao
The fast Ewald methods are widely used to compute the point-charge electrostatic interactions in molecular simulations. The key step that introduces errors in the computation is th…
Mesoscopic magnetic resonance spectroscopy with a remote spin sensor
Tianyu Xie, Fazhan Shi, Sanyou Chen +12
Quantum sensing based on nitrogen-vacancy (NV) centers in diamond has been developed as a powerful tool for microscopic magnetic resonance. However, the reported sensor-to-sample d…
New zirconium hydrides predicted by structure search method based on first principles calculations
Xueyan Zhu, De-Ye Lin, Jun Fang +3
The formation of precipitated zirconium (Zr) hydrides is closely related to the hydrogen embrittlement problem for the cladding materials of pressured water reactors (PWR). In this…
An efficient hybrid tridiagonal divide-and-conquer algorithm on distributed memory architectures
Shengguo Li, Francois-Henry Rouet, Jie Liu +3
In this paper, an efficient divide-and-conquer (DC) algorithm is proposed for the symmetric tridiagonal matrices based on ScaLAPACK and the hierarchically semiseparable (HSS) matri…
Kaiser-Bessel Basis for the Particle-Mesh Interpolation
Xingyu Gao, Jun Fang, Han Wang
In this work, we introduce the Kaiser-Bessel interpolation basis for the particle-mesh interpolation in the fast Ewald method. A reliable a priori error estimate is developed to me…
Multiple Staggered Mesh Ewald: Boosting the Accuracy of the Smooth Particle Mesh Ewald Method
Han Wang, Xingyu Gao, Jun Fang
The smooth particle mesh Ewald (SPME) method is the standard method for computing the electrostatic interactions in the molecular simulations. In this work, the multiple staggered…
Effect of vacancies on the mechanical properties of zirconium: An ab initio investigation
Xueyan Zhu, Xingyu Gao, Haifeng Song +2
It is well known that the irradiation-induced defects strongly influence the mechanical properties of zirconium (Zr) or its alloys in nuclear reactors. However, how the point defec…
On the existence of the optimal order for wavefunction extrapolation in Born-Oppenheimer molecular dynamics
Jun Fang, Xingyu Gao, Haifeng Song +1
Wavefunction extrapolation greatly reduces the number of self-consistent field (SCF) iterations and thus the overall computational cost of Born-Oppenheimer molecular dynamics (BOMD…
Parallel 3-dim fast Fourier transforms with load balancing of the plane waves
Xingyu Gao, Zeyao Mo, Jun Fang +1
The plane wave method is most widely used for solving the Kohn-Sham equations in first-principles materials science computations. In this procedure, the three-dimensional (3-dim) t…
Sampling the isothermal-isobaric ensemble by Langevin dynamics
Xingyu Gao, Jun Fang, Han Wang
We present a new method of conducting molecular dynamics simulation in isothermal-isobaric ensemble based on Langevin equations of motion. The stochastic coupling to all particle a…
An Efficient monochromatic Electron Source designed for Inverse Photoemission Spectroscopy
Geng Dongping, Yang Yingguo, Liu Shuhu +2
A design of an efficient monochromatic electron source for Inverse Photoemission Spectroscopy (IPES) apparatus is described. The electron source consists of a BaO cathode, a focus…