Adri C. T. van Duin

机构：Pennsylvania State University, GDA (United States) · ORCID：0000-0002-3478-4945

发表论文 841 篇 · 总被引 54622 次 · h-index 115

代表论文

• Harnessing Chain Mobility via Protonation for Tough and Isotropic Hydrogel (2026 · Advanced Materials · 被引 14)
• Atomistic-Scale Simulations of the High-Temperature Chemistry of Si/C/O/H-Based Polymers and Their Conversion to Si/C Solid Materials (2026 · The Journal of Physical Chemistry C · 被引 5)
• Understanding surface wettability: insights from experiments, molecular simulations, and first-principles theory (2026 · Nanoscale · 被引 2)
• Atomistic Insights into SiC Sublimation and Temperature-Dependent Vapor Composition by ReaxFF Molecular Dynamics Simulations (2026 · The Journal of Physical Chemistry C)
• Membranes Incorporating 2D Single-Crystalline COFs for Superior Separation Performance: 3D Image-Informed Reactive Force Field Modeling and Scalable Mixed-Matrix Systems (2026 · Journal of the American Chemical Society)
• Development of a ReaxFF Reactive Force Field for the Investigation of Thermochemical, Thermophysical and Oxidation Behavior of Titanium Diboride (2026 · The Journal of Physical Chemistry C)