Nonlocal pseudopotential energy density functional for orbital-free density functional theory. #Physics #Chemistry #DFT . nature.com/articles/s4146…

Space is lovely, dark and deep. You're looking at the deepest infrared image of the universe ever taken—the first full-color image from NASA Webb Telescope. Go deeper on the galaxies of SMACS 0723 at nasa.gov/webbfirstimages #UnfoldTheUniverse

[ASAP] Real-Space Pseudopotential Method for the Calculation of 1 Core-Level Binding Energies ift.tt/iC8QT5c

Paul Dirac's hand written Ph.D thesis, 1926. The title of the thesis was simply "Quantum Mechanics".

Velocity-gauge real-time time-dependent density functional tight-binding for large-scale condensed matter systems. arxiv.org/abs/2308.09782

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It’s true.

We derived and implemented the VG-rtTDDFTB for probing the ultrafast electron dynamics. Velocity-Gauge Real-Time Time-Dependent Density Functional Tight-Binding for Large-Scale Condensed Matter Systems | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…

We derived a high numerical accuracy and stability free-energy density functional, named XWMF, for large-scale WDM simulations. Phys. Rev. B 110, 085113 (2024) - Nonlocal free-energy density functional for a broad range of warm dense matter simulations journals.aps.org/prb/abstract/1…

PRB Editors' Suggestion: Nonlocal free-energy #DensityFunctional for a broad range of warm dense matter simulations C. Ma, M. Chen, Y. Xie, Q. Xu, W. Mi et al., Phys. Rev. B 110, 085113 ➡️ go.aps.org/4fDgzN5 #EdSugg #physics #condmat @APSPhysics Qiang XU Wenhui

Congratulations, Qiang Xu Qiang XU for winning one of the best poster awards at this year's SoCal Theochem meeting at UC San Diego! #TDDFT #CompChem #DFT UC Riverside UCR Science News UC Riverside CNAS

Photoinduced Electron–Nuclear Dynamics of Fullerene and Its Monolayer Networks in Solvated Environments | Journal of the American Chemical Society UC Riverside #Photoinduced #ElectronNuclear #Dynamics #Fullurene #Monolayer #Networks #SolvatedEnvironment pubs.acs.org/doi/10.1021/ja…

We present the Ehrenfest VG-rtTDDFTB that enables us to perform several picoseconds of excited-state electron-nuclear dynamics simulations for nanoscale systems with periodic boundary conditions.

I gained a lot from the great APS March meeting 2025! American Physical Society

It's too bad to believe what others say