My personal opinion on this topic is that it’s a extremely useful tool.
However, it is important to note that a simulation isn’t always what happens in reality.
Exclusively using this single tool is a bad idea therefore considering these simulation are only as accurate as they are programmed to be.
As we discover more and more about materials and implement these properties into the simulations they will obviously become more and more accurate. But it’s still critical to actually perform experimental tests to keep validating if what we simulate does indeed correspond to reality.