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Naphthalene crystal shape prediction from molecular dynamics simulations

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A design concept is proposed for the building block, a dot, of programmable braille readers utilizing bistable shell buckling, magnetic actuation, and pneumatic loading. The design process is guided by Finite Element simulations, which are initially valida ...

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Microbially induced calcium carbonate (CaCO3) precipitation (MICP) is one of the major sustainable alternatives to the artificial cementation of granular media. MICP consists of injecting the soil with bacterial- and calcium-rich solutions sequentially to ...

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In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...

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The growth modulation of metal nanocrystals (NCs) by Ostwald ripening (OR) involves control of the relocation of matter by diffusional mass transfer from the dissolution of small nanocrystals (SNCs) towards large nanocrystals whose surface energy is lower. ...

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Accurate simulations of molecular quantum dynamics are crucial for understanding numerous natural processes and experimental results. Yet, such high-accuracy simulations are challenging even for relatively simple systems where the Born-Oppenheimer approxim ...

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The DESI N-body Simulation Project - II. Suppressing sample variance with fast simulations

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Dark Energy Spectroscopic Instrument (DESI) will construct a large and precise three-dimensional map of our Universe. The survey effective volume reaches similar to 20 h(-3) Gpc(3). It is a great challenge to prepare high-resolution simulations with a much ...

OXFORD UNIV PRESS2022