Programming and simulating chemical reaction networks on a surface

Abstract

Models of well-mixed chemical reaction networks (CRNs) have provided a solid foundation for the study of programmable molecular systems, but the importance of spatial organization in such systems has increasingly been recognized. In this paper, we explore an alternative chemical computing model introduced by Qian & Winfree in 2014, the surface CRN, which uses molecules attached to a surface such that each molecule only interacts with its immediate neighbours. Expanding on the constructions in that work, we first demonstrate that surface CRNs can emulate asynchronous and synchronous deterministic cellular automata and implement continuously active Boolean logic circuits. We introduce three new techniques for enforcing synchronization within local regions, each with a different trade-off in spatial and chemical complexity. We also demonstrate that surface CRNs can manufacture complex spatial patterns from simple initial conditions and implement interesting swarm robotic behaviours using simple local rules. Throughout all example constructions of surface CRNs, we highlight the trade-off between the ability to precisely place molecules and the ability to precisely control molecular interactions. Finally, we provide a Python simulator for surface CRNs with an easy-to-use web interface, so that readers may follow along with our examples or create their own surface CRN designs.

Document Details

Document Type
Pub Defense Publication
Publication Date
May 01, 2020
Source ID
10.1098/rsif.2019.0790

Entities

People

  • Erik Winfree
  • Lulu Qian
  • Samuel Clamons

Organizations

  • Army Research Office
  • California Institute of Technology
  • Division of Computing and Communication Foundations
  • National Science Foundation

Tags

Readers

  • Computational Modeling and Simulation
  • Geospatial Intelligence and Artificial Intelligence Analytics
  • Mathematical Modeling and Probability Theory.

Technology Areas

  • AI & ML
  • Autonomy
  • Autonomy - Autonomous System Control