Chemistry of the origins of life: how prebiotic chemistry can be approached by computational quantum methods

The origins of life are a fascinating topic and a captivating scientific challenge that involve numerous hypotheses. Computational quantum techniques have been growing, modernizing, and complementing experimental efforts in the field. In this mini review, we briefly summarize some well-known hypotheses on life’s emergence and highlight some recent investigations in prebiotic chemistry addressed by computational quantum methods. These include diverse prebiotic scenarios, ranging from thermal reactions to photochemically mediated processes, on early Earth and in astrophysical conditions. By doing so, we emphasize the increasing role of computational quantum chemistry in advancing our understanding of the chemical pathways that may have led to life’s origin.