43 citations · 502 across the 29 of their papers we have counts for
29 papers
Comparison of water models for structure prediction
Bálint Soczó, Ildikó Pethes
Describing the interactions of water molecules is one of the most common, yet critical, tasks in molecular dynamics simulations. Because of its unique properties, hundreds of attem…
Short range order and topology of Te-rich amorphous Ge-Sb-Te alloys
Ildikó Pethes, Andrea Piarristeguy, Annie Pradel +6
The structure of evaporated amorphous GeSbTe ( 6, 9, 13) alloys was investigated by neutron diffraction, X-ray diffraction and extended X-ray absorption spe…
Evolution of the hydrogen-bonded network in methanol-water mixtures upon cooling
Ildikó Pethes, László Pusztai, László Temleitner
The hydrogen-bonded structure of methanol-water mixtures is investigated over the entire alcohol concentration range (from 0.1 to 1.0) at several temperatu…
Short range order and topology of binary Ge-S glasses
Ildikó Pethes, Pál Jóvári, Stefan Michalik +6
Short range order and topology of GeS glasses over a broad composition range (20 x 42 in at%) was investigated by neutron diffraction, X-ray diffraction,…
Towards the correct microscopic structure of aqueous CsCl solutions with a comparison of classical interatomic potential models
Ildikó Pethes
The structure of aqueous CsCl solutions was investigated by classical molecular dynamics simulations (MD) at three salt concentrations (1.5, 7.5, and 15 mol %). Thirty interatomic…
Temperature-dependent structure of 1-propanol/water mixtures: X-ray diffraction experiments and computer simulations at low and high alcohol contents
Ildikó Pethes, László Pusztai, Koji Ohara +1
Aqueous mixtures of 1-propanol have been investigated by high-energy synchrotron X-ray diffraction upon cooling. X-ray weighted total scattering structure factors of 6 mixtures, fr…