Adri van Duin
88PUBLICATIONS
273CO-AUTHORS
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Publications (88)
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|Apr 08, 2026
Understanding surface wettability: insights from experiments, molecular simulations, and first-principles theory.Emdadul Haque Chowdhury, Md Shahed Hossain Sohan, C Ulises Gonzalez-Valle
|Mar 04, 2026
Dynamics of iodine geminate recombination in supercritical xenon solvent: Caging effect.M Mirakhory, A Majumdar, M Ihme
|Feb 25, 2026
Development of a ReaxFF Reactive Force Field for the Crystallization of van der Waals-Layered Bismuth Selenide.Ga-Un Jeong, Ryan Morelock, Soumendu Bagchi
|Dec 31, 2025
ReaxFF Parameter Set for Boron Clusters and Icosahedral Boron Crystals: Comparison with Density Functional Theory and Machine-Learning Potentials.Amin Ahmadisharaf, Adri C T van Duin, Bin Liu
|Dec 22, 2025
Suitability of the ReaxFF potential for MD modeling of lithium across low and high temperatures.P S Krstic, S Dwivedi, A C T van Duin
|Nov 14, 2025
Copper Selenides via Anion Exchange versus Direct Growth - The Role of Diorganyl Diselenides.Jiwoo Choi, Benjamin A Schmidt, Mykhailo Boleychuk
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Frequent Collaborators
10 joint publications
Yun Kyung Shin
8 joint publications
Nadire Nayir
5 joint publications
Joan M Redwing
5 joint publications
Karthik Ganeshan
4 joint publications
Qian Mao
4 joint publications
Swarit Dwivedi
4 joint publications
John C Mauro
4 joint publications
Mike Pols
4 joint publications
Weiwei Zhang
4 joint publications
Shuxia Tao
