Show 10 5 10 15 20 50 100 250 Sort by year (new to old) Actions Download search results Subscribe to news feed Your filters: cql: author="van Duin, Adri CT" or (type exact bookEditor and editor="van Duin, Adri CT") Add to list Journal Article A1 open access ReaxFF parameter optimization with Monte-Carlo and evolutionary algorithms : guidelines and insights Ganna Shchygol (UGent) , Alexei Yakovlev, Tomáš Trnka, Adri CT van Duin and Toon Verstraelen (UGent) (2019) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 15(12). p.6799-6812 Add to list Journal Article A1 eReaxFF : a pseudoclassical treatment of explicit electrons within reactive force field simulations Md Mahbubul Islam, Grigory Kolesov, Toon Verstraelen (UGent) , Efthimios Kaxiras and Adri CT van Duin (2016) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 12(8). p.3463-3472 Add to list Journal Article A1 open access The ReaxFF reactive force-field : development, applications and future directions Thomas P Senftle, Sungwook Hong, Md Mahbubul Islam, Sudhir B Kylasa, Yuanxia Zheng, Yun Kyung Shin, Chad Junkermeier, Roman Engel-Herbert, Michael J Janik, Hasan Metin Aktulga, et al. (2016) NPJ COMPUTATIONAL MATERIALS. 2.