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We introduce the notion of quantum computational webs: These are quantum states universal for measurement-based computation which can be built up from a collection of simple primitives. The primitive elements - reminiscent of building…

Quantum Physics · Physics 2010-10-14 D. Gross , J. Eisert

A cyclic thermodynamic heat engine runs most efficiently if it is reversible. Carnot constructed such a reversible heat engine by combining adiabatic and isothermal processes for a system containing an ideal gas. Here, we present an example…

Quantum Physics · Physics 2009-11-06 C. M. Bender , D. C. Brody , B. K. Meister

The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…

Polynomial dynamical systems (DSs) can model a wide range of physical processes. A special subset of these DSs that can model chemical reactions under mass-action kinetics is called chemical dynamical systems (CDSs). A fundamental problem,…

Molecular Networks · Quantitative Biology 2025-08-04 Tomislav Plesa

Here I report about the modifications of and relations between graphic lambda calculus, various formalisms which appeared under the name chemlambda and a version of directed interaction combinators. This is part of the study and experiments…

Logic in Computer Science · Computer Science 2020-07-21 Marius Buliga

Chemical reactions-based microfluidic circuits are expected to provide new opportunities to perform signal processing functions over molecular domain. To realize this vision, in this article, we exploit and present the digital signal…

Emerging Technologies · Computer Science 2020-09-14 Dadi Bi , Yansha Deng

We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built from any set of elements from the periodic table. In…

Chemical Physics · Physics 2022-05-12 Jan-Grimo Sobez , Markus Reiher

Kaemika is an app available on the four major app stores. It provides deterministic and stochastic simulation, supporting natural chemical notation enhanced with recursive and conditional generation of chemical reaction networks. It has a…

Computational Engineering, Finance, and Science · Computer Science 2020-05-19 Luca Cardelli

We study the model of continuous chemical reaction networks (CRNs), consisting of reactions such as $A+B \to C+D$ that can transform some continuous, nonnegative real-valued quantity (called a *concentration*) of chemical species $A$ and…

Emerging Technologies · Computer Science 2024-11-26 Kim Calabrese , David Doty

The development of selective high precision chemical functionalization strategies for device fabrication, in conjunction with associated techniques for patterning graphene wafers with atomic accuracy would provide the necessary basis for a…

Materials Science · Physics 2014-09-23 Santanu Sarkar

Low-dimensional metal complexes are versatile materials with tunable physical and chemical properties that make these systems promising platforms for caloric applications. In this context, this work proposes a quantum Stirling cycle based…

Molecular computation based on chemical reaction networks (CRNs) has emerged as a promising paradigm for designing programmable biochemical systems. However, the implementation of complex computations still requires excessively large and…

Molecular Networks · Quantitative Biology 2025-06-17 Renlei Jiang , Yuzhen Fan , Di Fan , Chuanhou Gao , Denis Dochain

Molecular circuits capable of autonomous learning could unlock novel applications in fields such as bioengineering and synthetic biology. To this end, existing chemical implementations of neural computing have mainly relied on emulating…

Machine Learning · Computer Science 2025-09-23 Rajiv Teja Nagipogu , John H. Reif

This introductory review discusses the main problems facing the attempt to build quantum information processing systems (like quantum computers) from spin-based qubits. We emphasize 'bottom-up' attempts using methods from chemistry. The…

Quantum Physics · Physics 2009-06-17 Philip C. E. Stamp , Alejandro Gaita-Ariño

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

A liquid can be used to represent signals, actuate mechanical computing devices and to modify signals via chemical reactions. We give a brief overview of liquid based computing devices developed over hundreds of years. These include…

Emerging Technologies · Computer Science 2018-11-27 Andrew Adamatzky

Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst. Especially, saturated, hydrogen-rich molecules are formed through surface chemistry.…

Astrophysics of Galaxies · Physics 2022-02-11 H. M. Cuppen , A. Fredon , T. Lamberts , E. M. Penteado , M. Simons , C. Walsh

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

Machines enabled the Industrial Revolution and are central to modern technological progress: A machine's parts transmit forces, motion, and energy to one another in a predetermined manner. Today's engineering frontier, building artificial…

Soft Condensed Matter · Physics 2021-11-18 A. Aubret , Q. Martinet , J. Palacci

The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage,…

Computational Engineering, Finance, and Science · Computer Science 2015-12-07 Peter Banda , Drew Blount , Christof Teuscher
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