Computational chemistry experiments performed directly on a blockchain virtual computer † † Electronic supplementary information (ESI) available. See DOI: 10.1039/d0sc01523g

Abstract

Blockchain technology has had a substantial impact across multiple disciplines, creating new methods for storing and processing data with improved transparency, immutability, and reproducibility. These developments come at a time when the reproducibility of many scientific findings has been called into question, including computational studies. Here we present a computational chemistry simulation run directly on a blockchain virtual machine, using a harmonic potential to model the vibration of carbon monoxide. The results demonstrate for the first time that computational science calculations are feasible entirely within a blockchain environment and that they can be used to increase transparency and accessibility across the computational sciences.