A5100462712- Material Dynamics and Properties
- Phase Equilibria and Thermodynamics
- ZnO doping and properties
- Ga2O3 and related materials
- Machine Learning in Materials Science
- Advanced Biosensing Techniques and Applications
- Diamond and Carbon-based Materials Research
- High-pressure geophysics and materials
- Surfactants and Colloidal Systems
- Advanced Chemical Physics Studies
- GaN-based semiconductor devices and materials
- Electronic and Structural Properties of Oxides
- Thermodynamic properties of mixtures
- Conducting polymers and applications
- Gas Sensing Nanomaterials and Sensors
- Advanced Numerical Analysis Techniques
- Semiconductor Quantum Structures and Devices
- Hydrogels: synthesis, properties, applications
- Semiconductor materials and devices
- Multi-Criteria Decision Making
- Lung Cancer Diagnosis and Treatment
- Synthesis and properties of polymers
- Advanced machining processes and optimization
- Radiomics and Machine Learning in Medical Imaging
- Biosensors and Analytical Detection
Nanyang Institute of Technology
2025
Microsoft Research Asia (China)
2025
Beijing Institute of Technology
2024
Guizhou Minzu University
2024
Xiangya Hospital Central South University
2023
University of Chinese Academy of Sciences
2023
South China University of Technology
2023
Ministry of Education
2023
Union College
2023
Central South University
2023
Equivariant Graph Neural Networks (EGNNs) have demonstrated significant success in modeling microscale systems, including those chemistry, biology and materials science. However, EGNNs face substantial computational challenges due to the high cost of constructing edge features via spherical tensor products, making them impractical for large-scale systems. To address this limitation, we introduce E2Former, an equivariant efficient transformer architecture that incorporates Wigner $6j$...
We report a method of reinforcing and toughening unsaturated polyester resin (UPR) with kind hyperbranched (HBP-1). Polyethylene glycol different molecular weight was used as the core molecule preparation reaction, reaction product phthalic anhydride glycerol branching unit. The esterification polycondensation occurred, then hydroxyl-terminated prepared. maleic isooctanol added to prepared for reaction. Both ends had double bond obtain effects this treatment on morphology, mechanical...
Three green light emitting InGaN/GaN multiple quantum well (MQW) structures with different In composition grown by metal-organic chemical vapor deposition are investigated the X-ray diffraction and temperature-dependent photoluminescence (PL) measurements. It is found that when increases in MQWs, PL spectral bandwidth may anomalously decrease increasing temperature. The reduction of be ascribed to enhanced non-radiative recombination process which lower emission efficiency localized...
We study the effect of quantum vibronic coupling on electronic properties carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In addition to avoiding several approximations commonly adopted in calculations electron-phonon coupling, our approach only adds moderate computational cost FPMD simulations hence it is applicable large supercells, such as those required describe amorphous solids....
Electron−phonon (e-ph) coupling dynamics in Au nanorods are studied with femtosecond transient depolarization experiments. exhibit strongly anisotropic e-ph dynamics. It is considered to arise from different weights of pump energy assigned two polarization directions because the anisotropy rather than an intrinsic process. The kinetics measured by experiments cannot be simply described a single exponential function but integral components contributed random distribution at all aqueous...
The electronic structures and optical characteristics of yttrium (Y)-doped ZnO monolayers (MLs) with vacancy (zinc vacancy, oxygen vacancy) were investigated by the first-principles density functional theory. Calculations performed GGA+U (generalized gradient approximation plus U) approach, which can accurately estimate energy strong correlation semiconductors. results show that formation values Y-doped MLs zinc or (VZn, VO) are positive, implying systems unstable. bandgap Y-VZn-ZnO was 3.23...
As an emerging business form of tourism development, homestays also play important role in China’s rural revitalization and transformation upgrading, has attracted increasing social attention. At present, Chongqing is the city with largest number China. Taking as a case-study area, based on homestay data Baidu map, this paper comprehensively uses methods spatial analysis, multiple regression geographical weighted to thoroughly analyze regional characteristics influencing factors distribution...
We present a computational protocol, based on density matrix perturbation theory, to obtain non-adiabatic, frequency-dependent electron-phonon self-energies for molecules and solids. Our approach enables the evaluation of interaction using hybrid functionals, spin-polarized systems, overhead include dynamical non-adiabatic terms in is negligible. discuss results molecules, as well pristine defective
Bone mesenchymal stem cell (BMSC)-derived exosome (BMSC-Exo) could be a treatment method for ischemic injury. In cerebrovascular disease (IC), microglia is pivotal in neuronal damage and remodeling. This study explores the mechanisms of BMSC-Exo miR-148b-3p regulating oxygen-glucose deprivation/reoxygenation (OGD/R)-induced human microglial clone 3 (HMC3) activation. Transmission electron microscopy (TEM) qNano were used to assess features. The functions miR-148 b-3p OGD/R-induced HMC3...
We present a method to efficiently combine the computation of electron-electron and electron-phonon self-energies, which enables evaluation coupling at G0W0 level theory for systems with hundreds atoms. In addition, our approach, is generalization recently proposed molecules [J. Chem. Theory Comput.2018, 14, 6269-6275], inclusion nonadiabatic temperature effects no additional computational cost. results diamond defects in discuss importance numerically accurate band structures obtain robust...
Motility is one of the most critical features to evaluate sperm quality. As longitudinal rolling human has long been ignored until recently, its detailed dynamics and cellular biological mechanisms are still largely unknown. Here we report an optical-tweezers-based method chirality frequency rotation. According intensity distribution patterns off-focus micron-size particles, established a judge orientation head along optical axis in trap. Together with rotation direction projection head, can...