From owner-chemistry@ccl.net Tue Mar 11 23:13:01 2025 From: "Patricia Silva Faria patricia.faria(-)quantistry.com" To: CCL Subject: CCL: Primordial soup: Simulating the beginnings of life Message-Id: <-55294-250311063424-493-0gblYsFd6g4opv2yBWtVaQ**server.ccl.net> X-Original-From: "Patricia Silva Faria" Date: Tue, 11 Mar 2025 06:34:22 -0400 Sent to CCL by: "Patricia Silva Faria" [patricia.faria : quantistry.com] Dear CCL Community, I wanted to share an exciting use case we recently explored using QuantistryLab. Revisiting the classic primordial soup experiment, we used our multiscale simulation platformwhich integrates quantum chemistry, molecular dynamics, and machine learningto investigate the chemical pathways that may have led to the emergence of life. Using the quantum nanoreactor, an ab initio molecular dynamics tool, we simulated reactions in an early Earth atmosphere. Our simulations identified organic molecules, including glycine, a fundamental amino acid. These findings align with existing research suggesting a link between meteorites and amino acid formation, adding another layer to the ongoing discussion in prebiotic chemistry. For those interested, we offer a free community version of the platformyoure welcome to try it out. Feel free to reach out if you need help setting up an account! You can read the full study here: https://www.quantistry.com/blog/primordial-soup-quantistrylab- quantum-nanoreactor Id love to hear your thoughts: Have you explored similar reaction pathways in your own work? What other experimental setups do you think would be interesting to simulate? Looking forward to the discussion! Best, Patrcia Faria patricia.faria+/-quantistry.com