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20002026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

Showing 2019Show all

6 papers · 1 filter

cond-mat.mes-hall2019★ 123 cited

Coherent manipulation of a molecular Ln-based nuclear qudit coupled to an electron qubit

Riaz Hussain, Giuseppe Allodi, Alessandro Chiesa +7

We demonstrate that the [Yb(trensal)] molecule is a prototypical coupled electronic qubit-nuclear qudit system. The combination of noise-resilient nuclear degrees of freedom and la…

cond-mat.str-el2019★ 17 cited

First-principles many-body models for electron transport through molecular nanomagnets

Alessandro Chiesa, Emilio Macaluso, Paolo Santini +2

Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely…

cond-mat.mtrl-sci2019★ 2 cited

NMR and SR detection of unconventional spin dynamics in Er(trensal) and Dy(trensal) molecular magnets

E. Lucaccini, L. Sorace, F. Adelnia +7

Measurements of proton Nuclear Magnetic Resonance (1H NMR) spectra and relaxation and of Muon Spin Relaxation (SR) have been performed as a function of temperature and exter…

physics.chem-ph2019★ 30 cited

Thioethyl-porphyrazine/Nanocarbon Hybrids for Photoinduced Electron Transfer

Sandra Belviso, Andrea Capas, Ernesto Santoro +9

We designed a novel pyrene-substituted thioethyl-porphyrazine (PzPy) and the formation of supramolecular assembly with nanocarbons demonstrating photoinduced electron transfer abil…

astro-ph.IM2019

Towards the forecast of atmospheric parameters and optical turbulence above an astronomical site on 24h time scale

G. Martelloni, E. Masciadri, A. Turchi

Forecast of the atmospheric parameters and optical turbulence applied to the ground-based astronomy is very crucial mainly for the queue scheduling. So far, most efforts have been…

astro-ph.IM2019★ 2 cited

Evaluation of filtering techniques to increase the reliability of meteo forecasts for ground-based telescopes

A. Turchi, G. Martelloni, E. Masciadri

In this contribution we evaluate the impact of filtering techniques in enhancing the accuracy of forecasts of optical turbulence and atmospheric parameters critical for ground-base…