502 citations · 620 across the 9 of their papers we have counts for
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cond-mat.soft2020
Topological Transformations in Hyperuniform Pentagonal 2D Materials Induced by Stone-Wales Defects
Yu Zheng, Duyu Chen, Lei liu +2
We discover two distinct topological pathways through which the pentagonal Cairo tiling (P5), a structural model for single-layer pyrite materials, respectively transforms i…
cond-mat.soft2017★ 502 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.soft2017★ 13 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…