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For the first time a comprehensive investigation has been carried out to quantify the possible effects of dredging a navigable canal on the hydrogeological system underlying a coastal lagoon. The study is focused on the ...

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional pe...

Abstract This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chem...