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20162025
most citedFeasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers

3 citations · 4 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2016

First-principles structure search for the stable isomers of stoichiometric WS2 nano-clusters

Roohollah Hafizi, S. Javad Hashemifar, Mojtaba Alaei +2

In this paper, we employ evolutionary algorithm along with the full-potential density functional theory (DFT) computations to perform a comprehensive search for the stable structur…