A. Urban

activity

20152023

most citedEfficient and Accurate Machine-Learning Interpolation of Atomic Energies in Compositions with Many Species

345 citations · 1.7k across the 18 of their papers we have counts for

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2 papers · 1 filter

cond-mat.mtrl-sci2015★ 178 cited

Calibrating transition metal energy levels and oxygen bands in first principles calculations: accurate prediction of redox potentials and charge transfer in lithium transition metal oxides

Dong-Hwa Seo, Alexander Urban, Gerbrand Ceder

Transition metal (TM) oxides play an increasingly important role in technology today including applications such as catalysis, solar energy harvesting, and energy storage. In many…

cond-mat.mtrl-sci2015★ 147 cited

The intercalation phase diagram of Mg in V $_{2}$ O $_{5}$ from first principles

Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Aziz Abdellahi +3

We have investigated Mg intercalation into orthorhombic V $_{2}$ O $_{5}$ , one of only three cathodes known to reversibly intercalate Mg ions. By calculating the ground state Mg $_{x}$ V $_{2}$ O…

Calibrating transition metal energy levels and oxygen bands in first principles calculations: accurate prediction of redox potentials and charge transfer in lithium transition metal oxides

The intercalation phase diagram of Mg in V2​O5​ from first principles

The intercalation phase diagram of Mg in V $_{2}$ O $_{5}$ from first principles