Toon Verstraelen
Ghent University Hospital(BE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Metal-Organic Frameworks: Synthesis and Applications, Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies, Protein Structure and Dynamics
Most-Cited Works
- → The ReaxFF reactive force-field: development, applications and future directions(2016)2,204 cited
- → Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development(2016)244 cited
- → TAMkin: A Versatile Package for Vibrational Analysis and Chemical Kinetics(2010)171 cited
- → QuickFF: A program for a quick and easy derivation of force fields for metal‐organic frameworks from ab initio input(2015)169 cited
- → Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes(2017)164 cited
- → Metal–organic frameworks as potential shock absorbers: the case of the highly flexible MIL-53(Al)(2014)141 cited
- → ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order(2013)124 cited
- → Machine learning potentials for metal-organic frameworks using an incremental learning approach(2023)121 cited
- → Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion(2016)117 cited
- → eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations(2016)116 cited