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- A. Deur2 profiles36 · h 54
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- Temple CollegeUS66 papers
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35 papers · 1 filter
Prediction of as a Dirac Nodal Line Semimetal via First-Principles Calculations
Sophie F. Weber, Ru Chen, Qimin Yan +1
Using first-principles calculations we predict that , a previously synthesized compound, is a Dirac nodal line (DNL) semimetal. The DNL in this compound is found t…
Design and Performance of the Spin Asymmetries of the Nucleon Experiment
J. D. Maxwell, W. R. Armstrong, S. Choi +102
The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Accelerat…
Electrical Control of Structural and Physical Properties via Strong Spin-Orbit Interactions in Sr2IrO4
G. Cao, J. Terzic, H. D. Zhao +3
Electrical control of structural and physical properties is a long-sought, but elusive goal of contemporary science and technology. We demonstrate that a combination of strong spin…
Ab initio theory and modeling of water
Mohan Chen, Hsin-Yu Ko, Richard C. Remsing +8
Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that a fully ab initio app…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
X-ray absorption of liquid water by advanced ab initio methods
Zhaoru Sun, Mohan Chen, Lixin Zheng +7
Oxygen K-edge X-ray absorption spectra of liquid water are computed based on the configurations from advanced ab initio molecular dynamics simulations, as well as an electron excit…