38 citations · 38 across the 2 of their papers we have counts for
3 papers
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…
cond-mat.dis-nn2012
RMC_POT (Reverse Monte Carlo using POTentials), a computer code for modeling the structure of disordered systems containing molecules of arbitrary complexity, using flexible molecular constraints and non-bonding potentials
Orsolya Gereben, Laszlo Pusztai
An approach has been devised and tested for preserving the molecular geometry and taking into account energetic considerations during Reverse Monte Carlo modeling. Instead of the c…
cond-mat.dis-nn2010
On the accurate calculation of the dielectric constant and the diffusion coefficient from molecular dynamics simulations: the case of SPC/E water
Orsolya Gereben, Laszlo Pusztai
The effect of the applied trajectory length on the convergence of the static dielectric constant and the self-diffusion coefficient were examined for the SPC/E water model in the N…