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The decomposition of arbitrary unitary transformations into sequences of simpler, physically realizable operations is a foundational problem in quantum information science, quantum control, and linear optics. We establish a 1D Quantum Field…

Quantum Physics · Physics 2026-03-20 Javier Álvarez-Vizoso , David Barral

Recent developments in computational chemistry facilitate the automated quantum chemical exploration of chemical reaction networks for the in-silico prediction of synthesis pathways, yield, and selectivity. However, the underlying quantum…

Chemical Physics · Physics 2025-10-22 Marco Eckhoff , Markus Reiher

Computational mechanics, an approach to structural complexity, defines a process's causal states and gives a procedure for finding them. We show that the causal-state representation--an $\epsilon$-machine--is the minimal one consistent with…

Statistical Mechanics · Physics 2022-02-17 Cosma Rohilla Shalizi , James P. Crutchfield

Recent years have witnessed the growing scholarly interest in the next-generation general-purpose computers. Various innovative computing modes have been proposed, such as optical, quantum phenomena, and DNA-based modes. Sequential logic…

Emerging Technologies · Computer Science 2026-01-01 Han Huang , Chengzhi Ma , Yuxin Zhao , Qingyao Wang , Xinglong Xiao , Xiulin Shu , Zhifeng Hao

A universal quantum processor is a device that takes as input a (quantum) program, containing an encoding of an arbitrary unitary gate, and a (quantum) data register, on which the encoded gate is applied. While no perfect universal quantum…

Quantum Physics · Physics 2021-02-05 Yuxiang Yang , Renato Renner , Giulio Chiribella

In this paper we explore the structure and applicability of the Distributed Measurement Calculus (DMC), an assembly language for distributed measurement-based quantum computations. We describe the formal language's syntax and semantics,…

Quantum Physics · Physics 2010-01-12 Ellie D'Hondt , Yves Vandriessche

Rational design of compounds with specific properties requires conceptual understanding and fast evaluation of molecular properties throughout chemical compound space (CCS) -- the huge set of all potentially stable molecules. Recent…

Chemical Physics · Physics 2019-12-02 O. Anatole von Lilienfeld , Klaus-Robert Müller , Alexandre Tkatchenko

Coupled chemical interactions in a well-mixed solution are commonly formalized as chemical reaction networks (CRNs). However, despite the widespread use of CRNs in the natural sciences, the range of computational behaviors exhibited by CRNs…

Emerging Technologies · Computer Science 2023-04-11 Ho-Lin Chen , David Doty , Wyatt Reeves , David Soloveichik

Whether P systems with only one catalyst can already be computationally complete, is still an open problem. Here we establish computational completeness by using specific variants of additional control mechanisms. At each step using only…

Formal Languages and Automata Theory · Computer Science 2013-09-06 Rudolf Freund , Gheorghe Păun

Reasoning over tabular data is a crucial capability for tasks like question answering and fact verification, as it requires models to comprehend both free-form questions and semi-structured tables. However, while methods like…

Artificial Intelligence · Computer Science 2026-04-14 Qixian Huang , Hongqiang Lin , Tong Fu , Yingsen Wang , Zhenghui Fu , Qirui Wang , Yiding Sun , Dongxu Zhang

Using transversal gates is a straightforward and efficient technique for fault-tolerant quantum computing. Since transversal gates alone cannot be computationally universal, they must be combined with other approaches such as magic state…

Quantum Physics · Physics 2017-10-04 Eesa Nikahd , Mehdi Sedighi , Morteza Saheb Zamani

Chemical compound space (CCS), the set of all theoretically conceivable combinations of chemical elements and (meta-)stable geometries that make up matter, is colossal. The first principles based virtual sampling of this space, for example…

Chemical Physics · Physics 2021-06-23 Bing Huang , O. Anatole von Lilienfeld

We present a method that outputs a sequence of simple unitary operations to prepare a given quantum state that is a generalized coherent state. Our method takes as inputs the expectation values of some relevant observables on the state to…

Quantum Physics · Physics 2020-01-08 Rolando D. Somma

To treat a problem with a Quantum Processing Unit (QPU), it must be transformed into a sequence of quantum operations, or gates: this is the quantum description of the problem. These operations are either packed into a query (i.e. quantum…

Quantum Physics · Physics 2026-03-19 Robin Ollive , Stéphane Louise

We use the benefits and components of classical computers every day. However, there are many types of problems which, as they grow in size, their computational complexity grows larger than classical computers will ever be able to solve.…

The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…

Computational Physics · Physics 2015-06-05 Pablo García-Risueño , Pablo E. Ibáñez

A reliable method for characterizing quantum operations that is suitable for improving and validating their accuracies is indispensable for realizing a practical quantum computer. Known methods are still not sufficient because they lack…

Quantum Physics · Physics 2021-06-25 Takanori Sugiyama , Shinpei Imori , Fuyuhiko Tanaka

Recently, a framework was established to systematically construct novel universal resource states for measurement-based quantum computation using techniques involving finitely correlated states. With these methods, universal states were…

Quantum Physics · Physics 2009-08-04 J. -M. Cai , W. Dür , M. Van den Nest , A. Miyake , H. J. Briegel

For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is mandatory. The complexity of such a network may grow rapidly, in particular if reactive…

Chemical Physics · Physics 2016-01-08 Maike Bergeler , Gregor N. Simm , Jonny Proppe , Markus Reiher

Decomposition, statically dividing a program into multiple units, is a common programming technique for realizing parallelism and refining programs. The decomposition of a sequential program into components is tedious, due to the…

Software Engineering · Computer Science 2020-09-09 Sabah Al-Fedaghi
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