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Achieving operational universality through a Turing complete chemputer

  • Daniel Gahler
  • , Dean Thomas
  • , Slawomir Lach
  • , Leroy Cronin*
  • *Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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Abstract

The most fundamental abstraction underlying all modern computers is the Turing Machine, that is, if any modern computer can simulate a Turing Machine, an equivalence which is called “Turing completeness”, it is theoretically possible to achieve any task that can be algorithmically described by executing a series of discrete unit operations. In chemistry, the ability to program chemical processes and ensure unit operations are understood at a high level of abstraction and then reduced to practice is extremely challenging. Herein, we exploit the concept of Turing completeness applied to robotic chemical platforms that execute unit operations to synthesize complex molecules using a chemically aware programming language, XDL. We leverage the concept of computability by computers to synthesizability of chemical compounds by automated synthesis machines. The results of an interactive demonstration of Turing completeness using the color gamut and conditional logic are presented to serve as a proxy for conceptual, chemical space exploration. This formal description establishes a formal framework in future chemical programming languages to ensure complex logic operations are expressed and executed correctly, with the possibility of error correction, in the autonomous pursuit of increasingly complex molecules.
Original languageEnglish
Pages (from-to)460–468
Number of pages9
JournalJACS Au
Volume6
Issue number1
Early online date12 Jan 2026
DOIs
Publication statusPublished - 26 Jan 2026

Funding

We gratefully acknowledge financial support from the EPSRC (grant nos. EP/S019472/1, EP/W001918/1, EP/R01308X/1, EP/S030603/1, and EP/S017046/1), the NIH (project no. 1UG3TR004136-01), the ERC (project no. 670467 SMART-POM), the EC (project no. 766975 MADONNA), the Eric and Wendy Schmidt Fund for Strategic Innovation (project no. G-21-62939), Schmidt Futures (project no. 2022-9-7-2), the Gates Foundation (project no. INV-058957), the Foresight Institute (Foresight Fast Grant) and DARPA (projects nos. W911NF-18-2-0036, W911NF-17-1-0316 and HR001119S0003). The views, opinions and/or findings expressed are those of the authors and should not be interpreted as representing the official views or policies of the Department of Defence or the US Government.

Keywords

  • automation
  • digital chemistry
  • Turing machine
  • Turing complete
  • XDL

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