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Adri C.T. van Duin Citation name van Duin, A. C. T. Affiliation Pennsylvania State University State PA Country USA Authored(223q) Development of Reaxff Simulation Techniques for Assessing in Situ Phase Behavior of Pd-Based CatalystsThomas Patrick SenftleAdri C.T. van DuinMichael J. Janik2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(188c) Multi-Scale Investigation of Pd/Ceria Catalysts Via Density Functional Theory and Classical Reaxff SimulationsThomas Patrick SenftleAdri C.T. van DuinMichael J. Janik2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(700d) Screening for Active Sites on Supported Metal-Oxide Catalysts Via Hybrid- Monte Carlo/Molecular Dynamics Simulations with the Reaxff PotentialThomas Patrick SenftleAdri C.T. van DuinMichael J. Janik2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(15f) Illuminating Surface Atoms in Nanoparticles By Differential X-Ray Absorption SpectroscopyRobert M. RiouxCharles S. SpanjersThomas P. SenftleAdri C.T. van DuinAnatoly I. FrenkelMichael J. Janik2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(476f) Hypergolic Combustion of Nitric Acid with Protonated Dicyanamide and with Nitro-Dicyanamide-Carbonyl: A Reactive Molecular Dynamics StudyChad JunkermeierMichael R. WeismillerDmitry BedrovAdri C.T. van Duin2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)(65e) Li Adsorption and Intercalation in Graphene, Graphite and Carbon Onions By Reaxff Reactive Force FieldMuralikrishna RajuPaul R.C. KentAdri C.T. van DuinPanchapakesan Ganesh2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(311e) Modeling Chemical and Physical Interactions in CO2/Ionic Liquids With the Reaxff Force FieldBo ZhangAdri C.T. van DuinKarl Johnson2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(303f) A Reactive Molecular Dynamics Research for the Effect of Strain Energy On Hydrolysis Reaction of the Silica-Water InterfaceJejoon YeonAdri C.T. van Duin2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(779j) Using Reactive Force Fields to Model Adatom Domains in Fluorinated GraphenesChad JunkermeierSriram SrinivasanAdri C.T. van Duin2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3) Associated proceedings 2014 AIChE Annual Meeting 2015 AIChE Annual Meeting Proceedings 2013 AIChE Annual Meeting
