Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Molecular Dynamics Simulation
This chapter provides the reader an initial overview of molecular dynamics (MD). Various molecular modeling methods such as MD, Monte Carlo (MC), Brownian dynamics (BD), dissipative particle dynamics (DPD), and lattice Boltzmann methods have been discussed in order to highlight how these are different from each other. Types of force‐field, potential, ensemble, thermostat, boundary conditions, and MD methodology have been discussed in detail for better understanding of the readers. The readers are suggested to go through the references given at the end of this chapter for advanced reading. After reading this chapter, the audience will be able to understand the basic terminology of molecular modeling.
Molecular Dynamics Simulation
This chapter provides the reader an initial overview of molecular dynamics (MD). Various molecular modeling methods such as MD, Monte Carlo (MC), Brownian dynamics (BD), dissipative particle dynamics (DPD), and lattice Boltzmann methods have been discussed in order to highlight how these are different from each other. Types of force‐field, potential, ensemble, thermostat, boundary conditions, and MD methodology have been discussed in detail for better understanding of the readers. The readers are suggested to go through the references given at the end of this chapter for advanced reading. After reading this chapter, the audience will be able to understand the basic terminology of molecular modeling.
Molecular Dynamics Simulation
Sharma, Sumit (Autor:in) / Kumar, Pramod (Autor:in)
30.03.2021
34 pages
Aufsatz/Kapitel (Buch)
Elektronische Ressource
Englisch
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