Multi-scale Simulations Research Group
Multi-scale Simulations Research Group
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Adri C.T. Van Duin
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Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics
A reactive molecular dynamics study of the effects of an electric field on n-dodecane combustion
ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis
Atomistic-scale simulations on graphene bending near a copper surface
ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels
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