I am currently an M.Sc. researcher working on the design and theoretical investigation of novel covalent organic framework (COF) materials. My primary requirements include periodic structure building, geometry optimization, and atomistic simulations of COFs. In addition, a key component of my work is the simulation of powder X-ray diffraction (PXRD) patterns for newly designed COFs to support structural assignment and comparison with experimental PXRD data.
Is Biovia Materials Studio the right software that helps me do that? How much does it cost for a student? And from where can I purchase it?