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- University of MinnesotaUS41 papers
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Showing 2016Show all
3 papers · 1 filter
cond-mat.soft2016★ 25 cited
Q-tensor model for electrokinetics in nematic liquid crystals
Oleh M. Tovkach, Christopher Conklin, M. Carme Calderer +4
We use a variational principle to derive a mathematical model for a nematic electrolyte in which the liquid crystalline component is described in terms of a second-rank order tenso…
physics.comp-ph2016★ 6 cited
Evolutionary optimization of PAW data-sets for accurate high pressure simulations
Kanchan Sarkar, Mehmet Topsakal, N. A. W. Holzwarth +1
We examine the challenge of performing accurate electronic structure calculations at high pressures by comparing the results of all-electron full potential linearized augmented-pla…
cond-mat.mtrl-sci2016★ 32 cited
Spin crossover in (Mg,Fe)(Si,Fe)O bridgmanite: effects of disorder, iron concentration, and temperature
Gaurav Shukla, Renata M. Wentzcovitch
The spin crossover of iron in Fe-bearing bridgmanite, the most abundant mineral of the Earth's lower mantle, is by now a well-established phenomenon, though several aspects…