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Neal Stephenson has been mentioned but not what book might qualify for the OP's request.
for my money that would be Anathem. Straight-up hard sf but in a uniquely novel manner. Discovery/Mystery is inherent right from the beginning. And of course, science and scientific philosophy is at the core of the story.
An easier entry point into Neal Stephenson might be Cryptonomicon however.
And of course neither of those are his BEST works in my opinion.
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