Computation, Simulation & Modeling of Nanostructures, Nano systems & devices

Functional Nano-scale structures frequently involve quite dissimilar materials which are difficult to characterize experimentally and ultimately be assembled, controlled, and utilized by manipulating quantities at the macro-scale a combination of features which puts unprecedented demands on theory, modelling and simulation

  • Multiscale Modelling for the Materials Improvement and Design
  • Nanostructured Metals: manufacturing and modelling
  • Nanostructured Multiphase Alloys
  • Quantum Mechanics for Modelling of Nanomaterials
  • Microstructure-based Models and Dislocation Analysis
  • Mechanics of Nanomaterials
  • Software for Modelling of Nanomaterials
  • Applications of Nanomaterials Modelling
  • Combinational logic and finite-state machines
  • Assembly operations using molecular manipulators
  • Simulation of Organic Semiconductor Devices
  • Atomistic Quantum Transport Simulations
  • Multiscale methods for charge / heat transport for nano-meso scale devices
  • Non-equilibrium Thermodynamics
  • Technologies based on alternative materials

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