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Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…
In this paper, we investigate the problem of synthesizing computable functions of infinite words over an infinite alphabet (data $\omega$-words). The notion of computability is defined through Turing machines with infinite inputs which can…
Many complex chemical problems encoded in terms of physics-based models become computationally intractable for traditional numerical approaches due to their unfavourable scaling with increasing molecular size. Tensor decomposition…
We demonstrate the use of Google's cloud-based Tensor Processing Units (TPUs) to accelerate and scale up conventional (cubic-scaling) density functional theory (DFT) calculations. Utilizing 512 TPU cores, we accomplish the largest such DFT…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
The idea behind universal coating is to have a thin layer of a specific substance covering an object of any shape so that one can measure a certain condition (like temperature or cracks) at any spot on the surface of the object without…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing and reasoning tasks. However, their performance in the foundational domain of arithmetic remains unsatisfactory. When…
Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…
A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-qubit mark. While current quantum processors have reached…
Within the last decade much progress has been made in the experimental realisation of quantum computing hardware based on a variety of physical systems. Rapid progress has been fuelled by the conviction that sufficiently powerful quantum…
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis…
Besides their use for efficient computation, quantum computers are a base for studying quantum systems that create valid physical theories using mathematics and physics. An essential part of the validation process for quantum mechanics is…
The complexity of cellular automata is traditionally measured by their computational capacity. However, it is difficult to choose a challenging set of computational tasks suitable for the parallel nature of such systems. We study the…
In a variety of studies of dynamical systems, the edge of order and chaos has been singled out as a region of complexity. It was suggested by Wolfram, on the basis of qualitative behaviour of cellular automata, that the computational basis…
Any real interaction process produces many incompatible system versions, or realisations, giving rise to omnipresent dynamic randomness and universally defined complexity (arXiv:physics/9806002). Since quantum behaviour dynamically emerges…
Quantum computation promises applications that are thought to be impossible with classical computation. To realize practical quantum computation, the following three properties will be necessary: universality, scalability, and…
Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…
In this paper we investigate the computational power of a set of mobile robots with limited visibility. At each iteration, a robot takes a snapshot of its surroundings, uses the snapshot to compute a destination point, and it moves toward…
Quantum computations operate in the quantum world. For their results to be useful in any way, there is an intrinsic necessity of cooperation and communication controlled by the classical world. As a consequence, full formal descriptions of…