Development and application of reactivity force field for multiscale study of nanomaterials based on boron element.
SRP-Onderzoekszwaartepunt: Understanding, predicting, and tailoring molecular and material properties and reactivity through combined conceptual and computational quantum chemical approaches
Reparameterization of ReaxFF force fields using sensitivity analysis and a novel global optimization approach (AutoCheMo)
Apps for cops: a realist evaluation of the impact of mobile information technology on police decision-making and on police-citizen interactions
A reactive molecular dynamics study of chlorinated organic compounds, part I : force field development
Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation