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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…
cond-mat.soft2006★ 44 cited
Relation between the Liquid-Liquid Phase Transition and Dynamic Behavior in the Jagla Model
Limei Xu, Isaac Ehrenberg, Sergey V. Buldyrev +1
Using molecular dynamics simulations, we study a spherically-symmetric ``two-scale'' Jagla potential with both repulsive and attractive ramps. This potential displays a liquid-liqu…