How we can use the computational calculation methods for the Nuclear reactions. Is that possible to apply the computational methods for the nuclear reactions?
I am afraid that your question is totally off topic with respect to the computational methods you mention.
All the methods you list and all the ones explained e.g. in the book of Marx and Hutter are designed to simulate atomic (chemical) reactions, *not* nuclear reactions. Ab-initio methods and first principles molecular dynamics can treat nuclear quantum effects only in terms of description of light nuclei (e.g. quantum tunneling of protons as in the Path Integral MD (PIMD) of Marx, Tuckerman and Parrinello).
These methods have never been intended nor designed for nucelar fission or fusion reactions, since nuclei are described either as point-like classical objects (Ab initio MD) or quantum wavefunctions-like broad distributions (PIMD).