All Stories

  1. Molecular reordering processes on ice (0001) surfaces from long timescale simulations

    Article • The Journal of Chemical Physics, December 2014, American Institute of Physics

    Dr Kjartan Thor Wikfeldt

  2. Nuclear quantum effects in a 1-D model of hydrogen bonded ferroelectrics

    Article • Journal of Physics Conference Series, December 2014, Institute of Physics Publishing

    Dr Kjartan Thor Wikfeldt

  3. Triplet correlation functions in liquid water

    Article • The Journal of Chemical Physics, November 2014, American Institute of Physics

    Dr Kjartan Thor Wikfeldt

  4. Communication: Ab initio simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects

    Article • The Journal of Chemical Physics, January 2014, American Institute of Physics

    Dr Kjartan Thor Wikfeldt

  5. Selective Probing of the OH or OD Stretch Vibration in Liquid Water Using Resonant Inelastic Soft-X-Ray Scattering

    Article • Physical Review Letters, November 2013, American Physical Society (APS)

    Takashi Tokushima, Dr Kjartan Thor Wikfeldt

  6. The Boson peak in supercooled water

    Article • Scientific Reports, June 2013, Springer Science + Business Media

    Dr Kjartan Thor Wikfeldt

  7. Quantum Effects in the Diffusion of Hydrogen on Ru(0001)

    Article • The Journal of Physical Chemistry Letters, May 2013, American Chemical Society (ACS)

    Dr Kjartan Thor Wikfeldt

  8. A transferable H2O interaction potential based on a single center multipole expansion: SCME

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Hannes Jónsson, Dr Kjartan Thor Wikfeldt

  9. Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

    Article • The Journal of Physical Chemistry, December 2011, American Chemical Society (ACS)

    Dr Kjartan Thor Wikfeldt

  10. Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water

    Article • The Journal of Chemical Physics, June 2011, American Institute of Physics

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  11. Wide-angle X-ray diffraction and molecular dynamics study of medium-range order in ambient and hot water

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  12. In situ X-ray probing reveals fingerprints of surface platinum oxide

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  13. Spatially inhomogeneous bimodal inherent structure of simulated liquid water

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  14. Increasing correlation length in bulk supercooled H2O, D2O, and NaCl solution determined from small angle x-ray scattering

    Article • The Journal of Chemical Physics, October 2010, American Institute of Physics

    Dr Kjartan Thor Wikfeldt

  15. Oxygen-oxygen correlations in liquid water: Addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting technique

    Article • The Journal of Chemical Physics, March 2010, American Institute of Physics

    Dr Kjartan Thor Wikfeldt

  16. SpecSwap-RMC: a novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties

    Article • Journal of Physics Condensed Matter, February 2010, Institute of Physics Publishing

    Dr Kjartan Thor Wikfeldt

  17. Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  18. On the Range of Water Structure Models Compatible with X-ray and Neutron Diffraction Data

    Article • The Journal of Physical Chemistry, May 2009, American Chemical Society (ACS)

    Dr Kjartan Thor Wikfeldt

  19. Diffraction and IR/Raman data do not prove tetrahedral water

    Article • The Journal of Chemical Physics, August 2008, American Institute of Physics

    Michael Odelius, Dr Kjartan Thor Wikfeldt