Nanotechnology Basic | Chapter 9: Computational Nanotechnology and Modeling by Prakhar Chauhan | Learn Smarter
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Chapter 9: Computational Nanotechnology and Modeling

Computational nanotechnology utilizes mathematical models and algorithms to simulate nanoscale systems, enabling insights into the behavior of atoms and molecules. Key methods include Molecular Dynamics, Monte Carlo simulations, and Density Functional Theory, all enhanced by machine learning, which streamlines data analysis and material discovery. Various software tools support these techniques, making computational nanotechnology essential for advancements in material science and device design.

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Sections

  • 9

    Computational Nanotechnology And Modeling

    This section covers the role of computational tools in nanotechnology, including modeling methods and applications.

    Learning Practice

  • 9.1

    Introduction To Computational Nanotechnology

    Computational nanotechnology simulates nanoscale systems using mathematical models to help predict the behavior of nanostructures.

    Learning Practice

  • 9.2

    Molecular Dynamics (Md) Simulations

    Molecular Dynamics (MD) simulations are computational techniques that model the time-dependent behavior of molecular systems using Newton's equations of motion.

    Learning Practice

  • 9.3

    Monte Carlo (Mc) Simulations

    Monte Carlo simulations utilize random sampling and statistical methods to analyze complex physical and mathematical problems.

    Learning Practice

  • 9.4

    First-Principles Calculations And Density Functional Theory (Dft)

    First-principles calculations, specifically Density Functional Theory (DFT), play a vital role in computational nanotechnology by enabling accurate electronic structure calculations of nanomaterials without empirical parameters.

    Learning Practice

  • 9.5

    Role Of Machine Learning In Nanotechnology

    Machine learning is revolutionizing the analysis and modeling in nanotechnology, offering faster predictions and improved data handling.

    Learning Practice

  • 9.6

    Software Tools For Computational Nanotechnology

    This section outlines various software tools used in computational nanotechnology to simulate nanoscale systems and understand their behavior.

    Learning Practice

References

Untitled document (14).pdf

Class Notes

Memorization

What we have learnt

  • Computational tools are piv...
  • Molecular dynamics and Mont...
  • Machine learning enhances p...

Final Test

Revision Tests