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I am very supportive of the fact that we can without the physicality of it, try and test out materials and their properties computationally! I am not sure of the economics of it on whether the energy cost of the computation is much lower than the actual cost of manufacturing a novel material in a lab is, but I guess the physical approach is way more expensive.
What excites me even further is the wide range of applicability of these materials on a number of hard problems : think quantum computing, synthetic compounds which have specific medicinal properties, even further materials which can be used as transplants into organs to patch them!
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