Kelly M. Nicholson

First-principles screening of complex transition metal hydrides for high temperature applications.

D. Sholl, Kelly M. Nicholson, 2014, Inorganic chemistry.

Powered by DFT: Screening methods that accelerate materials development for hydrogen in metals applications.

D. Sholl, Kelly M. Nicholson, N. Chandrasekhar, 2014, Accounts of chemical research.

First-Principles Prediction of Ternary Interstitial Hydride Phase Stability in the Th–Zr–H System

D. Sholl, Kelly M. Nicholson, 2014 .

First principles methods for elpasolite halide crystal structure prediction at finite temperatures

D. Sholl, S. Kang, Kelly M. Nicholson, 2013 .

Computationally efficient determination of hydrogen isotope effects on the thermodynamic stability of metal hydrides

D. Sholl, Kelly M. Nicholson, 2012 .

First-principles prediction of new complex transition metal hydrides for high temperature applications.

D. Sholl, Kelly M. Nicholson, 2014, Inorganic chemistry.