Adri C. T. van Duin

Materials Chemistry · 2001–2018

A researcher in the Science corpus: 20 papers; trusts 2 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

Materials Chemistry — 119 citations into it
Electrical and Electronic Engineering — 56 citations into it
Catalysis — 22 citations into it
Fluid Flow and Transfer Processes — 15 citations into it
Radiology, Nuclear Medicine and Imaging — 10 citations into it

Whom Adri C. T. van Duin trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

Who trusts Adri C. T. van Duin overall

Papers from Adri C. T. van Duin's perspective

Ordered by how strongly the researchers Adri C. T. van Duin trusts endorse each paper. Same corpus, a different order for every researcher.

ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation. (Journal of Physical Chemistry A)
Scalable molecular dynamics with NAMD
A realistic molecular model of cement hydrates (Proceedings of the National Academy of Sciences of the United States of America)
Atomic layer deposition: an overview. (Chemical Reviews)
CHARMM: The biomolecular simulation program
High-k/Ge MOSFETs for future nanoelectronics
Atomic and molecular electron affinities: photoelectron experiments and theoretical computations. (Chemical Reviews)
All-atom empirical potential for molecular modeling and dynamics studies of proteins.
Investigation of the effects of graphene and graphene oxide nanoplatelets on the micro- and macro-properties of cementitious materials
First-Principles Study of Elastic Constants and Interlayer Interactions of Complex Hydrated Oxides: Case Study of Tobermorite and Jennite

Their papers

The ReaxFF reactive force-field: development, applications and future directions (2016) — 2,020 citations
ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems (2003) — 928 citations
Effect of electrolytes on the structure and evolution of the solid electrolyte interphase (SEI) in Li-ion batteries: A molecular dynamics study (2011) — 301 citations
cemff: A force field database for cementitious materials including validations, applications and opportunities (2017) — 246 citations
Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel (2010) — 342 citations
Reactive Potentials for Advanced Atomistic Simulations (2013) — 211 citations
Early maturation processes in coal. Part 2: Reactive dynamics simulations using the ReaxFF reactive force field on Morwell Brown coal structures (2009) — 223 citations
A comparative study on the oxidation of two-dimensional Ti3C2 MXene structures in different environments (2018) — 213 citations
Formation of incipient soot particles from polycyclic aromatic hydrocarbons: A ReaxFF molecular dynamics study (2017) — 221 citations
Atomistic-Scale Analysis of Carbon Coating and Its Effect on the Oxidation of Aluminum Nanoparticles by ReaxFF-Molecular Dynamics Simulations (2016) — 159 citations
Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles using the ReaxFF Reactive Force Field (2015) — 190 citations
Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr2O3 Catalyst (2015) — 196 citations
Oxidation of Silicon Carbide by O2 and H2O: A ReaxFF Reactive Molecular Dynamics Study, Part I (2012) — 226 citations
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls (2012) — 110 citations
Molecular dynamic simulation of aluminum–water reactions using the ReaxFF reactive force field (2011) — 149 citations
The utility of coal molecular models (2011) — 206 citations
Water adsorption on stepped ZnO surfaces from MD simulation (2010) — 154 citations
A reactive force field (ReaxFF) for zinc oxide (2008) — 148 citations
Adhesion and nonwetting-wetting transition in the Al/alpha-Al_2O_3 interface (2004) — 169 citations
ReaxFF: A Reactive Force Field for Hydrocarbons (2001)