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20022023
most citedArray Programming with NumPy

23.6k citations

Showing 2017Show all

35 papers · 1 filter

cond-mat.mes-hall20176 cited

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…

physics.ins-det20178 cited

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…

cond-mat.str-el201741 cited

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…

cond-mat.soft2017502 cited

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…

cond-mat.mtrl-sci20177.7k cited

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-…

cond-mat.soft201713 cited

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…