activity
19992026
most citedLithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

210 citations · 1k across the 42 of their papers we have counts for

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Showing cond-matShow all

2 papers · 1 filter

cond-mat2000★ 85 cited

Structural, Electronic, and Magnetic Properties of MnO

J. E. Pask, D. J. Singh, I. I. Mazin +2

We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-densi…

cond-mat1999★ 115 cited

Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

J. E. Pask, B. M. Klein, C. Y. Fong +1

We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polyno…