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Possible and seems nice but…
What are the costs to run such computations?
Are the models correct enough? How much does the model follow reality? Don’t we exclude possible good material because of that?
Simulate quantum world with classical computer, is it possible?I think that the cost depended on the complexity of your material, some small and simple system can be calculated with your own PC but some large system will need HPC. There are many different models can be used in calculations and they are always compared with the results from experiments. Some models are proved to be correct in some aspect and not so correct in other aspect. And it is possible to do computation with your own PC if you want to study simple system
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