Intermolecular Interactions
Global Optimization
Computational Materials Design
Crystal Structure Prediction
Nano Drug Delivery
FFCASP (Fast and Flexible CrystAl Structure Predictor)
Energy Materials
Computational Modelling
FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
Journal of Chemical Theory and Computation 17, 2586 (2021).
Interaction of Curcumin in a Drug Delivery System including a Composite with Poly(lactic-co-glycolic acid) and Montmorillonite
J. Mater. Chem. B, 5, 8070 (2017)
