Adri C. T. van Duin
Pennsylvania State University
Public scientific profile · Unclaimed
Built from public scholarly sources. Expertise is inferred by ScienceWe from publications and has not been confirmed by the scientist.
Top expertise
2D Materials and Applications
Strong evidence · 2 supporting papers · latest 2026
Fusion materials and technologies
Strong evidence · 2 supporting papers · latest 2026
Covalent Organic Framework Applications
Solid evidence · 1 supporting paper · latest 2026
Spectroscopy and Quantum Chemical Studies
Solid evidence · 2 supporting papers · latest 2026
Silicon Carbide Semiconductor Technologies
Solid evidence · 1 supporting paper · latest 2026
Polysaccharides and Plant Cell Walls
Solid evidence · 1 supporting paper · latest 2026
Machine Learning in Materials Science
Solid evidence · 2 supporting papers · latest 2026
Plasma Applications and Diagnostics
Solid evidence · 1 supporting paper · latest 2026
Publications (15)
Searching for a Correlation between Interfacial Liquid Structure and Hydrodynamic Slip: A Case Study of Water/Silica Interface
2026DOIPMID 42609991
Development of a Reactive Force Field for VS2-Based 2D Materials: Modeling Defects, Melting, and Structural Transformations
2026DOI
ReaxKit: A Modular Python Toolkit for Preparing, Parsing, and Analyzing ReaxFF Molecular Dynamics Simulations
2026
Membranes Incorporating 2D Single-Crystalline COFs for Superior Separation Performance: 3D Image-Informed Reactive Force Field Modeling and Scalable Mixed-Matrix Systems
2026DOIPMID 42701246
Preparation sequence controls oxygen partitioning between boron and lithium on tungsten: Letter
2026DOI
Preparation sequence controls oxygen partitioning between boron and lithium on tungsten: Letter
2026DOI
Local Chemistry-Guided Molecular Beam Epitaxy Growth of SnSe on MgO via Combined ReaxFF Modeling and Machine Learning
2026DOIPMID 42605042
Atomistic Insights into SiC Sublimation and Temperature-Dependent Vapor Composition by ReaxFF Molecular Dynamics Simulations
2026DOI
Cellulose Microfibril Interfacial Sliding to Regulate Load Transfer in Plant Primary Cell Walls through Direct or Polymer-Mediated Contact: Insights from Molecular Dynamics
2026DOI
A New Reactive Force Field for NO x -Water Interactions: Development, Evaluation, and Molecular Dynamics Simulation of Peroxynitrite
2026DOI
Development of a ReaxFF Reactive Force Field for the Investigation of Thermochemical, Thermophysical and Oxidation Behavior of Titanium Diboride
2026DOI
Origin and Reduction of Coercive Fields in ZnO-based Wurtzite Ferroelectrics
2026
ReaxKit
2026DOI
ReaxKit
2026DOI
Dataset for "Cellulose Microfibril Interfacial Sliding to Regulate Load Transfer in Plant Primary Cell Walls through Direct or Polymer-Mediated Contact: Insights from Molecular Dynamics"
2026DOI
Organizations in sourced records
Affiliation evidence only — not confirmed current employment.
- Pennsylvania State University
Source: OpenAlex · retrieved 2026-09-29