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Publications by Adri C. T. van Duin
ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Conformational Studies of Ligand-Template Assemblies and the Consequences for Encapsulation of Rhodium Complexes and Hydroformylation Catalysis
Catalysis Science and Technology
Catalysis
ReaxFF Reactive Force Field Simulations on the Influence of Teflon on Electrolyte Decomposition During Li/SWCNT Anode Discharge in Lithium-Sulfur Batteries
Journal of the Electrochemical Society
Surfaces
Condensed Matter Physics
Optical
Electrochemistry
Sustainability
Materials Chemistry
Magnetic Materials
Renewable Energy
Films
Coatings
Electronic
the Environment
Benchmark of ReaxFF Force Field for Subcritical and Supercritical Water
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Multiparadigm Modeling of Dynamical Crack Propagation in Silicon Using a Reactive Force Field
Physical Review Letters
Astronomy
Physics
Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH
AIP Conference Proceedings
Astronomy
Physics