You are correct (QM-based simulation of materials is what I do). The caveat is that exact simulations are so slow that they are impossible, that would not be the case with quantum computing I think. Fortunately, we have different levels of approximation for different purposes that work quite well. And you can use QM results to fit faster atomistic potentials.
You are correct (QM-based simulation of materials is what I do). The caveat is that exact simulations are so slow that they are impossible, that would not be the case with quantum computing I think. Fortunately, we have different levels of approximation for different purposes that work quite well. And you can use QM results to fit faster atomistic potentials.