His primary areas of investigation include ReaxFF, Molecular dynamics, Chemical physics, Physical chemistry and Force field. Adri C. T. van Duin has researched ReaxFF in several fields, including Inorganic chemistry, Chemical engineering and Thermodynamics. His Molecular dynamics study incorporates themes from Hydrogen, Oxide, Chemical reaction, Catalysis and Dissociation.
The concepts of his Chemical physics study are interwoven with issues in Nanotechnology, Carbon nanotube, Silicon, Nucleation and van der Waals force. His studies in Physical chemistry integrate themes in fields like Wetting, Exothermic reaction and Thermal decomposition. His research investigates the connection between Force field and topics such as Quantum that intersect with issues in Goethite and Energetics.
Adri C. T. van Duin mostly deals with ReaxFF, Molecular dynamics, Chemical physics, Chemical engineering and Force field. His ReaxFF research is multidisciplinary, relying on both Inorganic chemistry, Nanotechnology and Physical chemistry. His Nanotechnology research is mostly focused on the topic Carbon nanotube.
His Molecular dynamics research includes elements of Hydrogen, Adsorption, Thermodynamics, Dissociation and Density functional theory. While the research belongs to areas of Chemical physics, Adri C. T. van Duin spends his time largely on the problem of Oxide, intersecting his research to questions surrounding Metal. His Chemical engineering study integrates concerns from other disciplines, such as Chemical reaction and Polymer.
ReaxFF, Molecular dynamics, Chemical engineering, Chemical physics and Molecule are his primary areas of study. His study with ReaxFF involves better knowledge in Force field. As a member of one scientific family, Adri C. T. van Duin mostly works in the field of Molecular dynamics, focusing on Density functional theory and, on occasion, Monolayer.
His Chemical engineering study also includes fields such as
His primary areas of study are ReaxFF, Chemical engineering, Molecular dynamics, Chemical physics and Graphene. His work deals with themes such as Oxide, Dissociation and Polymer, which intersect with ReaxFF. His studies deal with areas such as Sintering, Adsorption, Ceramic, Alicyclic compound and Membrane as well as Chemical engineering.
His Molecular dynamics research integrates issues from Chemical reaction, Density functional theory, Ion, MXenes and Chemical stability. His research links Electrolyte with Chemical physics. Adri C. T. van Duin works mostly in the field of Graphene, limiting it down to topics relating to Heterojunction and, in certain cases, Field, Statistical physics, Coupling, Computation and Wafer, as a part of the same area of interest.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
ReaxFF: A Reactive Force Field for Hydrocarbons
Adri C. T. van Duin;Siddharth Dasgupta;François Lorant;William A. Goddard.
Journal of Physical Chemistry A (2001)
ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
Kimberly Chenoweth;Adri C. T. van Duin;William A. Goddard.
Journal of Physical Chemistry A (2008)
The ReaxFF reactive force-field: development, applications and future directions
Thomas P. Senftle;Sungwook Hong;Mahbubul Islam;Sudhir B. Kylasa.
npj Computational Materials (2016)
ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems
Adri C. T. van Duin;Alejandro Strachan;Shannon Stewman;Qingsong Zhang.
Journal of Physical Chemistry A (2003)
Crenarchaeol: the characteristic core glycerol dibiphytanyl glycerol tetraether membrane lipid of cosmopolitan pelagic crenarchaeota.
Jaap S Sinninghe Damsté;Stefan Schouten;Ellen C Hopmans;Adri C T van Duin.
Journal of Lipid Research (2002)
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
Alejandro Strachan;Adri C. T. van Duin;Debashis Chakraborty;Siddharth Dasgupta.
Physical Review Letters (2003)
Linearly concatenated cyclobutane lipids form a dense bacterial membrane
Jaap S. Sinninghe Damsté;Marc Strous;W. Irene C. Rijpstra;Ellen C. Hopmans.
Development of the ReaxFF Reactive Force Field for Describing Transition Metal Catalyzed Reactions, with Application to the Initial Stages of the Catalytic Formation of Carbon Nanotubes
Kevin D. Nielson;Adri C.T. Van Duin;Jonas Oxgaard;Wei Qiao Deng.
Journal of Physical Chemistry A (2005)
Thermal decomposition of RDX from reactive molecular dynamics
Alejandro Strachan;Edward M. Kober;Adri C. T. van Duin;Jonas Oxgaard.
Journal of Chemical Physics (2005)
A reactive molecular dynamics simulation of the silica-water interface
Joseph C. Fogarty;Hasan Metin Aktulga;Ananth Y. Grama;Adri C. T. van Duin.
Journal of Chemical Physics (2010)
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