Related papers: Chemputer and Chemputation -- A Universal Chemical…
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…
We present chemlambda (or the chemical concrete machine), an artificial chemistry with the following properties: (a) is Turing complete, (b) has a model of decentralized, distributed computing associated to it, (c) works at the level of…
Chemputation is the process of programming chemical robots to do experiments using a universal symbolic language, but the literature can be error prone and hard to read due to ambiguities. Large Language Models (LLMs) have demonstrated…
CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…
Universal memcomputing machines (UMMs) [IEEE Trans. Neural Netw. Learn. Syst. 26, 2702 (2015)] represent a novel computational model in which memory (time non-locality) accomplishes both tasks of storing and processing of information. UMMs…
Chemical modelling serves two purposes in dynamical models: accounting for the effect of microphysics on the dynamics and providing observable signatures. Ideally, the former must be done as part of the hydrodynamic simulation but this…
Embedding efficient command operation into biochemical system has always been a research focus in synthetic biology. One of the key problems is how to sequence the chemical reactions that act as units of computation. The answer is to design…
We outline the construction of a molecular system that could, in principle, implement a thermodynamically reversible Universal Turing Machine (UTM). By proposing a concrete-albeit idealised-design and operational protocol, we reveal…
Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…
Marcello, in 1997, formally proved that chemical kinetics can make a universal computer i.e they can replicate any digital circuit. Recently, Soloveichik et al. showed that chemical kinetics can perform fast and reliable Turing Universal…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…
Models of High-level Computation (MHCs) provide effective means to describe complex real-world computing systems because they offer formal foundations for the specification of interacting computing devices, as opposed to describing…
We present an architecture of QCPU(Quantum Central Processing Unit), based on the discrete quantum gate set, that can be programmed to approximate any n-qubit computation in a deterministic fashion. It can be built efficiently to implement…
Quantum algorithms for quantum chemistry map the dynamics of electrons in a molecule to the dynamics of a coupled spin system. To reach chemical accuracy for interesting molecules, a large number of quantum gates must be applied which…
The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…
The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…
Discrete chemical reaction networks formalize the interactions of molecular species in a well-mixed solution as stochastic events. Given their basic mathematical and physical role, the computational power of chemical reaction networks has…
Recent technological advances allow us to view chemical mass-action systems as analog computers. In this context, the inputs to a computation are encoded as initial values of certain chemical species while the outputs are the limiting…
Limitation of computational resources is considered as a universal principle that for simulation is as fundamental as physical laws are. It claims that all experimentally verifiable implications of physical laws can be simulated by the…
Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…