activity
20102023
most citedOn the accurate calculation of the dielectric constant and the diffusion coefficient from molecular dynamics simulations: the case of SPC/E water

124 citations · 603 across the 24 of their papers we have counts for

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Showing 2017Show all

2 papers · 1 filter

cond-mat.soft2017★ 19 cited

Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential

Ildikó Pethes, László Pusztai

Reverse Monte Carlo modeling of liquid water, based on one neutron and one X-ray diffraction data set, applying also the most popular interatomic potential for water, SPC/E, has be…

cond-mat.soft2017★ 38 cited

Cluster Formation and Percolation in Ethanol-Water mixtures

Orsolya Gereben, László Pusztai

Results of systematic molecular dynamics studies of ethanol-water mixtures, over the entire concentration range, were reported previously to agree with experimental X-ray diffracti…