309 citations · 2.3k across the 66 of their papers we have counts for
4 papers · 1 filter
Charge transfer satellites in x-ray spectra of transition metal oxides
E. Klevak, J. J. Kas, J. J. Rehr
Strongly correlated materials such as transition metal oxides (TMOs) often exhibit large satellites in their x-ray photoemission (XPS) and x-ray absorption spectra (XAS). These sat…
Correlation Dynamics and Enhanced Signals for Serial DNA Sequencing
Towfiq Ahmed, Jason T. Haraldsen, John J. Rehr +3
Nanopore based sequencing has demonstrated significant potential for the development of fast, accurate, and cost-efficient fingerprinting techniques for next generation molecular d…
Accuracy of generalized gradient approximation functionals for density functional perturbation theory calculations
Lianhua He, Fang Liu, Geoffroy Hautier +6
We assess the validity of various exchange-correlation functionals for computing the structural, vibrational, dielectric, and thermodynamical properties of materials in the framewo…
Shake-Rattle-and-Roll: A Model of Dynamic Structural Disorder in Supported Nanoscale Catalysts
J. J. Rehr, F. D. Vila
We investigate the effects of "dynamic structural disorder" (DSD) on the behavior of supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structur…