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/electrolyte interface for organic (in the case of calcium and magnesium) or aqueous (in the case of zinc) electrolytes using classical molecular dynamics under the effect of an applied field [2] (as it is done
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parameterized for these functionalized and solvated quantum dots. The tools developed will first be used in molecular dynamics simulations to determine molecular descriptors making it possible to understand
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molecular simulations, which must characterize the DNA aptamers; their bonding with the electrodes and redox molecules; their dynamical fluctuation trajectory in solution, under realistic conditions; the
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for Research on Ceramics in collaboration with Oerlikon Metco employs the open-source software Code_Saturne to simulate the fluid dynamics, thermodynamics, and electromagnetism phenomena inside the plasma torch
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imposed pressure on the behavior of a polycrystalline material in the context of diffusion welding. In this work, we will combine molecular dynamics and level-set methods to study the motion of GBs and
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LSPM, CNRS, UPR3407, Sorbonne Paris Nord University | Villetaneuse, le de France | France | about 2 months ago
, discharge dynamics, etc.) and numerical simulations (0D model for a MHCD operated in N2 and Ar/N2), and the implementation of the MHCD for the synthesis of h-BN and its heterostructures. This is a full-time