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For general discrete Chemical Reaction Networks (CRNs), the fundamental problem of reachability - the question of whether a target configuration can be produced from a given initial configuration - was recently shown to be Ackermann-complete. However, many open questions remain about which features of the CRN model drive this complexity. We study a restricted class of CRNs with void rules, reactions that only decrease species counts. We further examine this regime in the motivated model of step CRNs, which allow additional species to be introduced in discrete stages. With and without steps, we characterize the complexity of the reachability problem for CRNs with void rules. We show that, without steps, reachability remains polynomial-time solvable for bimolecular systems but becomes NP-complete for larger reactions. Conversely, with just a single step, reachability becomes NP-complete even for bimolecular systems. Our results provide a nearly complete classification of void-rule reachability problems into tractable and intractable cases, with only a single exception. 

For general discrete Chemical Reaction Networks (CRNs), the fundamental problem of reachability - the question of whether a target configuration can be produced from a given initial configuration - was recently shown to be Ackermann-complete. However, many open questions remain about which features of the CRN model drive this complexity. We study a restricted class of CRNs with void rules, reactions that only decrease species counts. We further examine this regime in the motivated model of step CRNs, which allow additional species to be introduced in discrete stages. With and without steps, we characterize the complexity of the reachability problem for CRNs with void rules. We show that, without steps, reachability remains polynomial-time solvable for bimolecular systems but becomes NP-complete for larger reactions. Conversely, with just a single step, reachability becomes NP-complete even for bimolecular systems. Beyond what is contained in this brief announcement, we also investigate optimization variants of reachability, provide approximation results for maximizing species deletion, establish ETH-based lower bounds for NP-complete cases, and prove hardness for counting reaction sequences. 

Molecular programmers and nanostructure engineers use domain-level design to abstract away messy DNA/RNA sequence, chemical and geometric details. Such domain-level abstractions are enforced by sequence design principles and provide a key principle that allows scaling up of complex multistranded DNA/RNA programs and structures. Determining the most favoured secondary structure, or Minimum Free Energy (MFE), of a set of strands, is typically studied at the sequence level but has seen limited domain-level work. We analyse the computational complexity of MFE for multistranded systems in a simple setting were we allow only 1 or 2 domains per strand. On the one hand, with 2-domain strands, we find that the MFE decision problem is NP-complete, even without pseudoknots, and requires exponential time algorithms assuming SAT does. On the other hand, in the simplest case of 1-domain strands there are efficient MFE algorithms for various binding modes. However, even in this single-domain case, MFE is P-hard for promiscuous binding, where one domain may bind to multiple as experimentally used by Nikitin [Nat Chem., 2023], which in turn implies that strands consisting of a single domain efficiently implement arbitrary Boolean circuits. 

Many models of self-assembly have been shown to be capable of performing computation. Tile Automata was recently introduced combining features of both Celluar Automata and the 2-Handed Model of self-assembly both capable of universal computation. In this work we study the complexity of Tile Automata utilizing features inherited from the two models mentioned above. We first present a construction for simulating Turing Machines that performs both covert and fuel efficient computation. We then explore the capabilities of limited Tile Automata systems such as 1-Dimensional systems (all assemblies are of height $$1$$) and freezing Systems (tiles may not repeat states). Using these results we provide a connection between the problem of finding the largest uniquely producible assembly using $$n$$ states and the busy beaver problem for non-freezing systems and provide a freezing system capable of uniquely assembling an assembly whose length is exponential in the number of states of the system. We finish by exploring the complexity of the Unique Assembly Verification problem in Tile Automata with different limitations such as freezing and systems without the power of detachment.