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The invention of the wheel is widely credited as a pivotal moment in human history, yet the details surrounding its discovery are shrouded in mystery. There remains no scholarly consensus on key questions such as where, how and by whom this technology was originally invented. In this study, we employ state-of-the-art techniques from computational structural mechanics to shed light on this long-standing puzzle. Based on this analysis, we propose a probable path along which the wheel evolved via a sequence of three major innovations. We also introduce an original computational design algorithm that autonomously generates a wheel-and-axle system using an evolutionary process that offers insight into the way in which the first wheels likely evolved nearly 6000 years ago. Our analysis provides new supporting evidence for the recently advanced theory that the wheel was invented by Neolithic miners harvesting copper ore from the Carpathian Mountains as early as 3900 BC. Moreover, we show how the discovery of the wheel was made possible by the unique physical features of the mine environment, whose impact was analogous to the selective environmental pressures that drive biological evolution.