| Van Duin, Adrianus |
| Development and applications of computational chemical methods for complex reactive interfaces - has substantial experience simulating reactions in coals, kerogens and other high-carbon phases and their interactions with water and inorganic materials - including clays, silicates and catalytic transition metals.
Substantial experience in simulating organic geochemical processes - including phase partitioning, surface wetting, reactive transport and chemistry-driven material failure.
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| - Crenarchaeol the characteristic core glycerol dibiphytanyl glycerol tetraether membrane lipid of cosmopolitan pelagic crenarchaeota Journal of Lipid Research 43 (10), 1641-1651, 2002 |
| - ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation The Journal of Physical Chemistry A 112 (5), 1040-1053, 2008 |
| - ReaxFF: a reactive force field for hydrocarbons The Journal of Physical Chemistry A 105 (41), 9396-9409, 2001 |
| - ReaxFFSiO reactive force field for silicon and silicon oxide systems The Journal of Physical Chemistry A 107 (19), 3803-3811, 2003 |
| - Shock waves in high-energy materials: The initial chemical events in nitramine RDX Physical Review Letters 91 (9), 098301, 2003 |
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