3.1k citations · 4.3k across the 11 of their papers we have counts for
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cond-mat.mtrl-sci2013★ 3.1k cited
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Kiran Mathew, Ravishankar Sundararaman, Kendra Letchworth-Weaver +2
Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational st…
cond-mat.mtrl-sci2013★ 227 cited
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
Deniz Gunceler, Kendra Letchworth-Weaver, Ravishankar Sundararaman +2
Delivering the full benefits of first principles calculations to battery materials demands the development of accurate and computationally-efficient electronic structure methods th…