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Showing 20 of 574 academic articles
Lorenzo Bonetti, Daniele Natali, Stefano Pandini, Massimo Messori et al. • Materials & Design
(2024)
This paper introduces a novel approach to 4D printing tailored structures with reversible two-way shape-memory effect (SME) through material extrusion technology. To this aim, methacrylated poly(ε-caprolactone) (PCL) was synthesized and eva...
DOAJ
Open Access (DOAJ)
DOI: 10.1016/j.matdes.2024.112725
Diogo A. Gálico, Emille M. Rodrigues, Ilias Halimi, Juho Toivola et al. • Nature Communications
(2024)
Abstract Molecular systems known as single-molecule magnets (SMMs) exhibit magnet-like behaviour of slow relaxation of the magnetisation and magnetic hysteresis and have potential application in high-density memory storage or quantum comput...
DOAJ
Open Access (DOAJ)
DOI: 10.1038/s41467-024-47682-x
David E. Bernal, Akshay Ajagekar, Stuart M. Harwood, Spencer T. Stober et al. • AIChE Journal
(2022)
Abstract Quantum computing has been attracting public attention recently. This interest is driven by the advancements in hardware, software, and algorithms required for its successful usage and the promise that it entails the potential acce...
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DOI: https://doi.org/10.1002/aic.17651
Razia Abdul Majid Qureshi, Altaf Ur Rahman, Altaf Ur Rahman, Muhammad Sajjad et al. • Frontiers in Chemistry
(2026)
Recent advances in the precise control of electromagnetic and transport properties, and the miniaturization of electronic devices, have introduced new prospects in the development of practical quantum computing. Double perovskites have gain...
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Open Access (DOAJ)
DOI: 10.3389/fchem.2026.1814481
Martin Andersson, Mark Jones, Kurt Valentin Mikkelsen, Fengqi You et al. • Current Opinion in Chemical Engineering
(2021)
Chemical process design has for long been benefiting from computer-aided methods and tools to develop new processes and services that can meet the needs of society. Chemical and biomolecular product design could also benefit from the use of...
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DOI: https://doi.org/10.1016/j.coche.2021.100754
G. Kaushik Raj G. Kaushik Raj • Journal of Software Engineering and Simulation
(2025)
Quantum computing performs computations by tapping the very laws that govern quantum mechanics, thereby making those computations far more efficient than does a classical computer. Quantum computers, through qubits and quantum phenomena lik...
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Open Access
DOI: https://doi.org/10.35629/3795-11051521
Jackson R. Badger, Yundi Quan, Matthew C. Staab, Shuntaro Sumita et al. • Communications Physics
(2022)
Topological superconducting systems are expected to exhibit a range of exotic physics which are particularly useful for application in quantum computing technologies. Here, the authors report the synthesis of LaNiGa2 which exhibits both top...
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Open Access (DOAJ)
DOI: 10.1038/s42005-021-00771-5
Meng‐Cheng Yen, Yung‐Chi Yao, Chia‐Jung Lee, Shi‐Hui Huang et al. • Advanced Science
(2025)
Abstract This study demonstrates that optical absorption of the CsPbBr3 quantum dots can be significantly enhanced through monolithic integration with the Tamm plasmon (TP) structure. This integration enables the resulting TP photodetector ...
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Open Access (DOAJ)
DOI: 10.1002/advs.202503464
Anup Basnet Chetry, Keisuke Ohto • Journal of Cheminformatics
(2025)
Abstract Chemoinformatics is a rapidly advancing field that integrates chemistry, computer science, and data analysis to enhance the study and application of chemical systems. This interdisciplinary approach leverages computational tools an...
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Open Access (DOAJ)
DOI: 10.1186/s13321-025-00978-6
Alberto Baiardi, Matthias Christandl, Markus Reiher • ChemBioChem
(2023)
Molecular biology and biochemistry interpret microscopic processes in the living world in terms of molecular structures and their interactions, which are quantum mechanical by their very nature. Whereas the theoretical foundations of these ...
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DOI: https://doi.org/10.1002/cbic.202300120
J. Lehmann, Alejandro Gaita‐Ariño, Eugenio Coronado, Daniel Loss • Journal of Materials Chemistry
(2008)
Molecular spintronics promises to combine the flexibility offered by synthetic chemistry with the advantages of an electronics which is based on the electron spin rather than its charge degree of freedom. Here, we review recent work on the ...
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DOI: https://doi.org/10.1039/b810634g
Pauline J. Ollitrault, Alexander Miessen, Ivano Tavernelli • Accounts of Chemical Research
(2021)
ConspectusSimulating molecular dynamics (MD) within a comprehensive quantum framework has been a long-standing challenge in computational chemistry. An exponential scaling of computational cost renders solving the time dependent Schrödinger...
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DOI: https://doi.org/10.1021/acs.accounts.1c00514
Hongbin Liu, Guang Hao Low, Damian S. Steiger, Thomas Häner et al. • Materials Theory
(2022)
Abstract Molecular science is governed by the dynamics of electrons and atomic nuclei, and by their interactions with electromagnetic fields. A faithful physicochemical understanding of these processes is crucial for the design and synthesi...
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DOI: https://doi.org/10.1186/s41313-021-00039-z
Haruto Fujii, Yasuaki Ito, Nobuya Yokogawa, Kanta Suzuki et al. • Applied Sciences
(2025)
Quantum chemistry offers the formal machinery to derive molecular and physical properties arising from (sub)atomic interactions. However, as molecules of practical interest are largely polyatomic, contemporary approximation schemes such as ...
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Open Access (DOAJ)
DOI: 10.3390/app15052572
Jr-Shin Li, Justin Ruths, Steffen J. Glaser • Nature Communications
(2017)
Coherent control of two-level systems is crucial for achieving fidelity in spectroscopy and quantum computing, but inherent nonlinearities and parameter variation have, to date, required an approximate, numerical approach. Here, Li et al. s...
DOAJ
Open Access (DOAJ)
DOI: 10.1038/s41467-017-00441-7
J.M. Clemente-Juan, Eugenio Coronado, Alejandro Gaita‐Ariño • Chemical Society Reviews
(2012)
In this review we discuss the relevance of polyoxometalate (POM) chemistry to provide model objects in molecular magnetism. We present several potential applications in nanomagnetism, in particular, in molecular spintronics and quantum comp...
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DOI: https://doi.org/10.1039/c2cs35205b
Guillem Aromı́, David Aguilà, Patrick Gámez, Fernando Luis et al. • Chemical Society Reviews
(2011)
A very exciting prospect in coordination chemistry is to manipulate spins within magnetic complexes for the realization of quantum logic operations. An introduction to the requirements for a paramagnetic molecule to act as a 2-qubit quantum...
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DOI: https://doi.org/10.1039/c1cs15115k
Mário Motta, Julia E. Rice • Wiley Interdisciplinary Reviews Computational Molecular Science
(2021)
Abstract Digital quantum computers provide a computational framework for solving the Schrödinger equation for a variety of many‐particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witness...
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Open Access
DOI: https://doi.org/10.1002/wcms.1580
Carlos Outeiral, Martin Strahm, Jiye Shi, Garrett M. Morris et al. • Wiley Interdisciplinary Reviews Computational Molecular Science
(2020)
Abstract Quantum computers can in principle solve certain problems exponentially more quickly than their classical counterparts. We have not yet reached the advent of useful quantum computation, but when we do, it will affect nearly all sci...
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DOI: https://doi.org/10.1002/wcms.1481
Sukhpal Singh Gill, Adarsh Kumar, Harvinder Singh, Manmeet Singh et al. • Software Practice and Experience
(2021)
Abstract Quantum computing (QC) is an emerging paradigm with the potential to offer significant computational advantage over conventional classical computing by exploiting quantum‐mechanical principles such as entanglement and superposition...
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Open Access
DOI: https://doi.org/10.1002/spe.3039