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20172023
most citedEfficient electron open boundaries for simulating electrochemical cells

2 citations · 2 across the 3 of their papers we have counts for

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Showing 2021Show all

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cond-mat.mtrl-sci2021

Predicting polarizabilities of silicon clusters using local chemical environments

Mario G. Zauchner, Stefano Dal Forno, Gábor Cśanyi +2

Calculating polarizabilities of large clusters with first-principles techniques is challenging because of the unfavorable scaling of computational cost with cluster size. To addres…