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Mariya Romanova on Muck Rack

Mariya Romanova

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Articles

Atomistic Investigation of Thermophysical Properties of Actinide Chlorides-Based Molten Salts via Ab Initio Molecular Dynamics and the Polarizable Ion Model

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By Julien Tranchida, Kateryna Goloviznina, Mariya Romanova, Maria Chiara Notarangelo
| dx.doi.org
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Surface Coupling of NV Centers over Nanoscale Lengths

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By Arsineh Apelian, Mariya Romanova, Vojtech Vlcek
| ACS Publications
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Dynamical downfolding for localized quantum states - npj Computational Materials

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By Mariya Romanova, Guorong Weng
| Nature Verified
Abstract We introduce an approach to treat localized correlated electronic states in the otherwise weakly correlated host medium. Here, the environment is dynamically downfolded on the correlated subspace. It is captured via renormalization of one and two quasiparticle interaction terms which are evaluated using many-body perturbation theory. We outline the strategy on how to take the dynamical effects into account by going beyond the static limit approximation.
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