Shafayet Rahat

2 Questions 4 Answers 0 Followers

Questions related from Shafayet Rahat

How to perform Nanoparticle structure prediction?

I've done CuO relaxation in unit cell. I've done it with quantum espresso. Now I want to build Nanoparticles and it's structure. If any one can help me in this regard that would be very nice.

11 August 2020 8,690 5 View

What is the best alternative to Gaussian for Ligand structure optimization?

I am working on a project of in silico based drug prediction. In it I am stuck on optimizing ligand/molecule structure and build a perfect force field/potential for it. Can any one suggest me on...

11 March 2020 5,366 3 View