3.1k citations · 7.3k across the 46 of their papers we have counts for
46 papers
A fully ab initio approach to inelastic atom-surface scattering
Michelle M. Kelley, Ravishankar Sundararaman, Tomás A. Arias
We introduce a fully ab initio theory for inelastic scattering of any atom from any surface exciting single phonons, and apply the theory to helium scattering from Nb(100). The key…
Extending the Use of Information Theory in Segregation Analyses to Construct Comprehensive Models of Segregation
Boris Barron, Yunus A. Kinkhabwala, Chriss Hess +3
The traditional approach to the quantitative study of segregation is to employ indices that are selected by ``desirable properties''. Here, we detail how information theory underpi…
Theory of Nb-Zr Alloy Superconductivity and First Experimental Demonstration for Superconducting Radio-Frequency Cavity Applications
Nathan S. Sitaraman, Zeming Sun, Ben Francis +8
Niobium-zirconium (Nb-Zr) alloy is an old superconductor that is a promising new candidate for superconducting radio-frequency (SRF) cavity applications. Using density-functional a…
Forecasting racial dynamics at the neighborhood scale using Density-functional Fluctuation Theory
Yunus A. Kinkhabwala, Boris Barron, Matthew Hall +2
Racial residential segregation is a defining and enduring feature of U.S. society, shaping inter-group relations, racial disparities in income and health, and access to high-qualit…
Small-area Population Forecast in a Segregated City using Density-Functional Fluctuation Theory
Yuchao Chen, Yunus A. Kinkhabwala, Boris Barron +3
Decisions regarding housing, transportation, and resource allocation would all benefit from accurate small-area population forecasts. While various tried-and-tested forecast method…
Ab initio many-body photoemission theory of transverse energy distribution of photoelectrons: PbTe(111) as a case study with experimental comparisons
J. Kevin Nangoi, Siddharth Karkare, Ravishankar Sundararaman +2
This manuscript presents, to our knowledge, the first fully ab initio many-body photoemission framework to predict the transverse momentum distributions and the mean transverse ene…