2025 Spring Meeting and 21st Global Congress on Process Safety April 6-10, 2025 Hilton Anatole, Dallas, TX
2025 AIChE Annual Meeting November 2-6, 2025 John B. Hynes Veterans Memorial Convention Center, Marriott Copley Place, Sheraton Back Bay | Boston, MA
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Adri van Duin Citation name van Duin, A. Affiliation RxFF_Consulting, LLC State PA Country USA Authored(284f) Computational Characterization of Pd/Ceria Catalysts Using DFT+U and ReaxFFAdam MayernickAdri van Duin2011 Annual Meeting (379a) Development and Validation of ReaxFF Forcefields for Mo – Ni – O – S – H Interactions Under High Pressure ConditionsDavid NewsomeAlex VasenkovDebasis SenguptaAdri van Duin2011 Annual Meeting (233d) Dispersive Kinetics of Fluorescent Two-State Reactions At the Single Nanoparticle LevelKaushik JoshiAdri van DuinPeter J. ButlerRobert M. Rioux2012 AIChE Annual Meeting (335a) Applications of the Reaxff Method to Metal and Metal Oxide Surface ChemistryAdri van DuinSung-Yup KimChenyu ZouMichael Janik2012 AIChE Annual Meeting (292f) Multi-Scale DFT/Reaxff Modeling of Hydrocarbon Reactions Over Pd/Ceria CatalystsAdri van Duin2012 AIChE Annual Meeting (393aq) Ion Adsorption On Nanocrystalline TiO2 Surfaces by Using a Reactive Force FieldAdri van DuinJames D. KubickiSung-Yup Kim2012 AIChE Annual Meeting (757h) Reaxff Reactive Force Field Study of Cesium Adsorption in Micaceous Clay MineralsMuralikrishna RajuAdri van DuinDiana van DuinHiroki NakamuraMasahiko OkumuraMasahiko MachidaKento MoriAtsushi Fujiwara2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(247f) Theoretical Investigation of Thermal Oxidation of Carbon-Coated Aluminum Nanoparticles Using the Reaxff Reactive Force FieldSungwook HongAdri van DuinRichard Yetter2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)(208d) Reaxff Molecular Dynamic Research on Tribochemistry of Si/SiO2 Surface and Role of Water Molecules to Surface Wear DamageJejoon YeonSeong H. KimAdri van Duin2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)(346br) Investigating the Correlated Dynamics of Aqueous Solutions through Van Hove Functions: Insights from Molecular SimulationRay MatsumotoMatt ThompsonPeter CummingsVan Quan VuongWeiwei ZhangStephan IrleAdri van DuinPaul R.C. Kent2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1) Associated proceedings 2011 Annual Meeting 2012 AIChE Annual Meeting 2016 AIChE Annual Meeting 2015 AIChE Annual Meeting Proceedings 2020 Virtual AIChE Annual Meeting