works on
density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 12 linked papers with an AI index.

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19992021
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 37.7k across the 12 of their papers we have counts for

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cond-mat.mtrl-sci2003★ 51 cited

Kinetic theory of quantum transport at the nanoscale

Ralph Gebauer, Roberto Car

We present a quantum-kinetic scheme for the calculation of non-equilibrium transport properties in nanoscale systems. The approach is based on a Liouville-master equation for a red…