Introduction to Molecular Dynamics Simulations

Kumar Gaurav, Radha Raman Mishra, Akarsh Verma

2022Lecture notes in applied and computational mechanics38 citationsDOI

Topics & Concepts

Molecular dynamicsComputer scienceSet (abstract data type)Boundary (topology)Statistical physicsNanotechnologyMaterials sciencePhysicsMathematicsComputational chemistryChemistryMathematical analysisProgramming languageCarbon Nanotubes in CompositesFullerene Chemistry and ApplicationsHigh-pressure geophysics and materials