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Computer aided molecular design coupled with molecular dynamics as a novel approach to design new lubricants

Darinel Valencia-Márquez, Antonio Flores‐Tlacuahuac, Alejandro J. García‐Cuéllar, Luis Ricardez‐Sandoval

2021Computers & Chemical Engineering13 citationsDOI

Topics & Concepts

Molecular dynamicsComputer scienceComputer Aided DesignEngineeringEngineering drawingBiochemical engineeringMechanical engineeringChemistryComputational chemistryLubricants and Their AdditivesIonic liquids properties and applicationsMachine Learning in Materials Science
Computer aided molecular design coupled with molecular dynamics as a novel approach to design new lubricants | Litcius