Publications

2015

Rajput, Nav Nidhi, Xiaohui Qu, Niya Sa, Anthony K. Burrell, and Kristin A. Persson."The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics."Journal of the American Chemical Society 137 (2015) 3411-3420. DOI