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Journal of the American Chemical Society|June 14, 2008
Density oscillations in a nanoscale water film on salt: insight from ab initio molecular dynamicsLimin Liu, Matthias Krack, Angelos MichaelidesThe Journal of Chemical Physics|June 25, 2009
Interfacial water: a first principles molecular dynamics study of a nanoscale water film on saltLi-Min Liu, Matthias Krack, Angelos MichaelidesJournal of Chemical Theory and Computation|November 27, 2015
Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car-Parrinello-like ApproachThomas D Kühne, Matthias Krack, Michele ParrinelloJournal of Physics. Condensed Matter : an Institute of Physics Journal|October 17, 2015
Effects of stoichiometry on the defect clustering in uranium dioxideRaoul Ngayam-Happy, Matthias Krack, Andreas PautzPhysical Chemistry Chemical Physics : PCCP|June 17, 2015
Pyrite in contact with supercritical water: the desolation of steamAndrás Stirling, Tamás Rozgonyi, Matthias Krack, et al.Inorganic Chemistry|February 3, 2016
Prebiotic NH3 Formation: Insights from SimulationsAndrás Stirling, Tamás Rozgonyi, Matthias Krack, et al.Environmental Science & Technology|May 24, 2019
Characterization of Structural Iron in Smectites - An Ab Initio Based X-ray Absorption Spectroscopy StudyAnnamária Kéri, Rainer Dähn, Matthias Krack, et al.Environmental Science & Technology|August 10, 2017
Combined XAFS Spectroscopy and Ab Initio Study on the Characterization of Iron Incorporation by MontmorilloniteAnnamária Kéri, Rainer Dähn, Matthias Krack, et al.Materials (Basel, Switzerland)|September 28, 2021
Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption SpectroscopyDmitry Bocharov, Inga Pudza, Konstantin Klementiev, et al.Physical Review Letters|March 16, 2007
Efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamicsThomas D Kühne, Matthias Krack, Fawzi R Mohamed, et al.Pageof 3