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10 papers · 1 filter
Towards highly multimode optical quantum memory for quantum repeaters
Pierre Jobez, Nuala Timoney, Cyril Laplane +5
Long-distance quantum communication through optical fibers is currently limited to a few hundreds of kilometres due to fiber losses. Quantum repeaters could extend this limit to co…
Insight into the LiCO-KCO eutectic mixture from classical molecular dynamics: thermodynamics, structure and dynamics
Dario Corradini, François-Xavier Coudert, Rodolphe Vuilleumier
In this work, we use molecular dynamics simulations to study the thermodynamics, structure and dynamics of the LiCO-KCO (62:38 mol%) eutectic mixture. We present a…
Transition from compact to porous films in deposition with temperature activated diffusion
Dung di Caprio, F. D. A. Aarao Reis
We study a thin film growth model with temperature activated diffusion of adsorbed particles, allowing for the formation of overhangs and pores, but without detachment of adatoms o…
Novel Porous Polymorphs of Zinc Cyanide with Rich Thermal and Mechanical Behavior
Fabien Trousselet, Anne Boutin, François-Xavier Coudert
We investigate the feasibility of four-connected nets as hypothetical zinc cyanide polymorphs, as well as their thermal and mechanical properties, through quantum chemical calculat…
Crossover from anomalous to normal diffusion in porous media
F. D. A. Aarao Reis, Dung di Caprio
Random walks (RW) of particles adsorbed in the internal walls of porous deposits produced by ballistic-type growth models are studied. The particles start at the external surface o…
Computational characterization and prediction of metal-organic framework properties
François-Xavier Coudert, Alain H. Fuchs
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the st…