Work in progress

1. Dendrimers as nanoscale building blocks and nanoscale applications
   • Modeling and characterization of Dendrimers for unimolecular imprinting
   • Molecular modeling of Rod Coil Dendrimers
   • Mesoscopic representation of Dendrimers from atomistic level simulations
   • Dynamics of encapsulated metals within PAMAM dendrimers
   • Thermodynamically consistent dendritic structures using CCBMC
2. Metals and Alloys
   • Melting and liquid structure at the surfaces in metals
   • Simulations of Liquid Metals
3. Complex oxides, Ferroelectrics, piezolectrics for sensing, actuation applications
   • First principles and Dynamics modeling of Pb-Ba titanates, Zirconates
   • Dynamic Polarizable QEq Force fields for Oxides, Ceramics, Perovskites"
4. Low dimensional systems, nanodots, nanowires, nanorods, and films
   • Melting in low dimesions
   • Nanotube mechanics
5. Plasticity
   • Hypervelocity impact in metals
   • Nanoindentation of metals and ceramics
   • Shock wave simulations
6. Equation of State and Phase Diagrams of Materials
   • Ab initio EoS studies of Metals and ordered metalic compounds
   • High pressure and temperature phase diagrams of geological materials.