Interstellar space may seem like the last place you would look when searching for the chemical origins of life. Yet on the surfaces of tiny dust grains within this vast expanse, complex chemical reactions are continually occurring, which likely played a key role in establishing the rich diversity of complex molecules we observe in the solar system today. In a new study, astrochemists in Spain and Italy, led by Albert Rimola at the Autonomous University of Barcelona, examine how advanced simulation techniques can be used to study these important processes on atomic scales.