MOLECULAR DYNAMICS – THEORETICAL DEVELOPMENTS AND APPLICATIONS IN NANOTECHNOLOGY AND ENERGY

Molecular dynamics (MD) simulations have played increasing roles in our
understanding of physical and chemical processes of complex systems and in
advancing science and technology. Over the past forty years, MD simulations have
made great progress from developing sophisticated theories for treating complex
systems to broadening applications to a wide range of scientific and technological
fields. The chapters of Molecular Dynamics are a reflection of the most recent progress
in the field of MD simulations.

Từ khóa: Advanced Molecular, Dynamics Simulations, Numerical Integration, Techniques Based, Molecular Dynamics, Systematic Approach