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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Antonio David Bastida Zamora1, Ljubomir Budinski1, Valtteri Lahtinen1
1Quanscient Oy, Peltokatu 34 B, 33100 Tampere, Finland.
This study introduces a new quantum Lattice Boltzmann method encoding using Carleman linearization. The novel approach enables local collision rules with improved accuracy for quantum simulations.
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