252 citations · 276 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 252 cited
Beyond scaling relations for the description of catalytic materials
Mie Andersen, Sergey V. Levchenko, Matthias Scheffler +1
Computational screening for new and improved catalyst materials relies on accurate and low-cost predictions of key parameters such as adsorption energies. Here, we use recently dev…
cond-mat.mtrl-sci2019
Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations
Sergey V. Levchenko, Matthias Scheffler
We present a code-independent compact representation of one-electron wavefunctions and other volumetric data (electron density, electrostatic potential, etc.) produced by electroni…