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20122020
most citedDYNASOR -- A tool for extracting dynamical structure factors and current correlation functions from molecular dynamics simulations

81 citations · 374 across the 7 of their papers we have counts for

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Showing 2016 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2016★ 49 cited

Polaronic contributions to oxidation and hole conductivity in acceptor-doped BaZrO

Anders Lindman, Paul Erhart, Göran Wahnström

Acceptor-doped perovskite oxides like BaZrO are showing great potential as materials for renewable energy technologies where hydrogen acts an energy carrier, such as solid oxid…

cond-mat.mtrl-sci2016★ 34 cited

First-principles derived complexion diagrams for phase boundaries in doped cemented carbides

Sven A. E. Johansson, G. Wahnström

This article reviews a method for calculating an equilibrium interfacial phase diagram depicting regions of stability for different interface structures as function of temperature…