From Out-of-Equilibrium Reaction Networks to Special Purpose Chemical Computers

The proposed research aims to design molecular methods for specialized computation, promising fast and reliable results in predicting the behavior of dynamical systems. Large-scale ecological, economical, or societal networks comprise interactions that self-organize and evolve in time. They are difficult to model with sufficient accuracy using conventional modeling techniques.

Emergent network behaviors such as adaptation, synchronization and critical transitions either cannot be fully captured by step-by-step instructions (algorithms), or the desired results take considerable time, energy, and/or other resources.

Here, I propose to use a systems chemistry approach to develop a design strategy for efficient simulations of self-organizing network behavior: I will combine easy-to-use microfluidic and hydrogel systems with basic chemical concepts such as acid-base reactions, and diffusion to couple networks of reactions.

The inherent capabilities of these ‘spatially’ organized networks to adapt to out-of-equilibrium conditions will form the bases for a novel framework to model dynamical behaviors in large-scale complex networks.

The simple means employed make the design of molecular methods for specialized computation and information processing amenable to the incorporation in future information technology.