Computational chemistry experiments performed directly on a blockchain virtual computer. Issue 18 (27th April 2020)

• Record Type: Journal Article
• Authors: Hanson-Heine, Magnus W. D.; Ashmore, Alexander P.
• Is Part Of: Chemical science. Volume 11:Issue 18(2020)
• Page Start: 4644
• Page End: 4647
• Publication Date: 2020-04-27
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d0sc01523g
• Languages: English
• ISSNs: 2041-6520

Abstract

Abstract : Blockchain technology has had a substantial impact across multiple disciplines. This study proves that physical simulations can be performed entirely within a blockchain virtual machine. These simulations have improved reproducibility, provenance, and less potential for censorship. 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.