Anirban Das

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Questions related from Anirban Das

What are the differences or similarities between DFT ground state energy and potential energy of molecular dynamics simulation MD?

In MD simulation we have chose potentials from given lists. and by DFT calculation one can calculate ground state energy of molecules or crystal structures. What are the differences or...

10 October 2018 2,865 6 View

Can any one suggest the best ab initio md simulation software package in windows OS for studying nano materials in different conditions ?

i need to study interaction of nano materials with some organic and inorganic materials in different physical conditions by ab initio md simulation. Can any one suggest the best ab initio md...

06 June 2017 8,632 7 View