Atomic

1
Atomic Molecular Nanotechnology G. Ali
Mansoori, Bio Chem Eng Dept.s Prime Grant
Support ARO, KU, UMSL, ANL
Problem Statement and Motivation

• Experimental and theoretical studies of organic
  nanostructures derived from petroleum
  (Diamondoids, asphaltenes, etc.)..
• Quantum and statistical mechanics of small
  systems - Development of ab initio models and
  equations of state of nanosystems. Phase
  transitions, fragmentations.
• Molecular dynamics simulation of small systems -
  Studies in non-extensivity and internal pressure
  anomaly of nanosystems.
• DNA-Dendrimers nano-cluster formation,
  nanoparticle-protein attachment for drug delivery

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Related Publications
Technical Approaches

• DNA-Dendrimer Nano-Cluster Electrostatics (CTNS,
  2005)
• Nonextensivity and Nonintensivity in Nanosystems
  - A Molecular Dynamics Sumulation J Comput
  Theort Nanoscience (CTNS,2005)
• Principles of Nanotechnology (Book) World
  Scientific Pub. Co (2005)
• Statistical Mechanical Modeling and its
  Application to Nanosystems Handbook of Theor
  Comput Nanoscience and Nanotechnology (2005)
• Phase-Transition and Fragmentation in
  Nano-Confined Fluids J Comput Theort
  Nanoscience (2005).
• Interatomic Potential Models for Nanostructures"
  Encycl Nanoscience Nanotechnology (2004).

• Nanoparticles-Protein Attachmrnt
• Nano-Imaging (AFM STM), Microelectrophoresis
• Ab Initio computations (Applications of Gaussian
  98)
• Nano-Systems Simulations (Molecular Dynamics)
• Nano-Thermodynamics and Statistical Mechanics