Article
Multidisciplinary Sciences
Junxu Li, Barbara A. Jones, Sabre Kais
Summary: Perturbation theory is a powerful tool for approximate solutions to complex problems by starting from the exact solution of a simpler problem. Advances in quantum computing have provided opportunities for alternatives to classical methods. We present a general quantum circuit that estimates both energy and eigenstates corrections, which outperforms the classical version in estimating second-order energy corrections. Our work offers a general approach to studying complex systems with quantum devices and can be applied to other Hamiltonian systems in chemistry and physics.
Article
Computer Science, Artificial Intelligence
Fei Yan, Salvador E. Venegas-Andraca, Kaoru Hirota
Summary: Quantum image processing is an interdisciplinary field that aims to surpass the limits of traditional computing by utilizing quantum effects. Key issues in this field include improving quantum image representations, designing quantum algorithms, and developing physical equipment and software architecture.
Article
Physics, Multidisciplinary
Swathi S. Hegde, Jingfu Zhang, Dieter Suter
Summary: This Letter presents a novel approach to address the challenge of achieving fast and low-error quantum gate operations. By eliminating time-dependent control fields for specific gate operations, this method can maximize gate operation speed and eliminate relevant sources of errors.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Luca Crippa, Francesco Tacchino, Mario Chizzini, Antonello Aita, Michele Grossi, Alessandro Chiesa, Paolo Santini, Ivano Tavernelli, Stefano Carretta
Summary: Magnetic molecules are prototypical systems for investigating quantum mechanical phenomena, and quantum computers offer a platform to simulate their behavior. Researchers demonstrated simulations of ground state properties and spin dynamics of magnetic molecules using prototype quantum computers based on superconducting qubits.
Article
Chemistry, Multidisciplinary
Baipeng Yin, Wubin Wu, Chenghu Dai, Hao Jia, Chuang Zhang, Jiannian Yao
Summary: A general approach for assembling colloidal microspheres into coupled microcavities using magnetostatic interactions under an external field has been reported. By designing the local field gradient around microspheres, virtual templates can be formed to produce various coupled photonic structures. This method shows promise for easily and efficiently fabricating coupled microstructures for photonic and optoelectronic applications.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Review
Multidisciplinary Sciences
Julian M. Rucker, Jennifer A. Richeson
Summary: This article explains the foundational feature of racial inequality in the criminal justice system in the United States and the psychological reasons why Americans tolerate this phenomenon. The study suggests that the common belief that racism is solely caused by individual prejudice rather than structural factors helps maintain racial stratification in the criminal justice system. While acknowledging structural racism contributes to reducing racial inequality in criminal justice outcomes, many Americans still willfully ignore structural racism in society.
Article
Chemistry, Multidisciplinary
Jailson J. da Silva, Wedja M. dos Santos, Rafael da S. Fernandes, Adriana Fontes, Beate S. Santos, Claudete F. Pereira, Patrick Krebs, Boris Mizaikoff, Goreti Pereira, Giovannia A. L. Pereira
Summary: The study describes a simple method for synthesizing non-stoichiometric copper selenide nanocrystals with excellent localized surface plasmon resonance effects. By optimizing the Cu/stabilizer and Cu/Se molar ratios, as well as the initial pH, nanocrystals with prominent optical performance were successfully prepared.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Paula Y. Steinberg, Nicolas Krimer, Gabriela P. Sarmiento, Dario Rodrigues, Cristian Huck-Iriart, Daniel Clemens, Andres Zelcer, Martin Mirenda
Summary: Direct back-face transmission steady-state fluorescence was used to study the aggregation of ibuprofen and ibuprofenate anion in solution. The proposed methodology accurately determined the critical aggregation concentrations and mean aggregation numbers and was supported by complementary techniques.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
(2022)
Review
Chemistry, Inorganic & Nuclear
Guillem Gabarro-Riera, Guillem Aromi, E. Carolina Sanudo
Summary: This critical review covers the latest research on surface deposition of complex magnetic molecules, including deposition methods, surface types, and molecule characterization methods. Relevant examples are provided. Readers will gain an overview of the field and acquire tools to design their own experiments.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Physics, Multidisciplinary
Laszlo Gyongyosi
Summary: This article discusses the mathematical model of adaptive problem solving and objective function evaluation in gate-model quantum computers, with a focus on the stability of problem solving.
Article
Physics, Multidisciplinary
Johannes Flick
Summary: Recent experimental advances in strongly coupled light-matter systems have led to the development of general ab initio methods for describing interacting light-matter systems from first principles. This Letter introduces a new gradient-based density functional for quantum-electrodynamical density-functional theory (QEDFT), derived from the adiabatic-connection fluctuation-dissipation theorem. The approximation is benchmarked on small systems in optical cavities and demonstrates relatively low computational costs for larger systems, effectively combining quantum optics with large-scale electronic structure theory.
PHYSICAL REVIEW LETTERS
(2022)
Article
Engineering, Civil
Ming Xia, Junjie Lin, Linghao Ying, Jian Sun, Kaikai Chi, Kun Gao, Keping Yu
Summary: The risk of death and injury from traffic crashes is recognized as a serious threat to sustainable development. Aggressive driving, characterized by excessive lane changes, is prevalent and monitoring lane changes can improve transportation sustainability. This article presents BackWatch, a novel vehicle-mounted sensing system that uses a back view cabin camera to monitor steering wheel rotations and track lane-change events. The system achieves high precision and recall in detecting lane changes.
IEEE TRANSACTIONS ON INTELLIGENT TRANSPORTATION SYSTEMS
(2022)
Article
Engineering, Electrical & Electronic
Ruiqing Xu, Ri-Gui Zhou, Yaochong Li
Summary: Quantum mechanics allows information to travel through multiple communication channels simultaneously, resulting in quantum trajectories where the causal order of communication channels becomes indefinite. The distribution of entanglement over quantum trajectories has been shown to enable noiseless quantum teleportation, which is not achievable in classical trajectories. This study explores the potential advantage of quantum trajectories in generating link-level entanglement for quantum networks, analyzes the performance of entanglement distribution over multiple quantum trajectories, and examines the application of entanglement purification protocol to reduce noise in link-level entanglement.
IEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS
(2023)
Article
Optics
Zhubing Jia, Shilin Huang, Mingyu Kang, Ke Sun, Robert F. Spivey, Jungsang Kim, Kenneth R. Brown
Summary: In trapped-ion quantum computers, spin-dependent force and phonons are used to generate two-qubit entangling gates. To maintain high fidelity under fluctuating experimental parameters, robust pulse-design methods are used. An improved method is proposed that guarantees the robustness of the rotation angle against uniform mode-frequency drifts. Experimental results show significantly improved robustness and gate fidelity compared to a single frequency-modulated pulse.
Article
Chemistry, Physical
Debayan Mitra, Zack D. Lasner, Guo-Zhu Zhu, Claire E. Dickerson, Benjamin L. Augenbraun, Austin D. Bailey, Anastassia N. Alexandrova, Wesley C. Campbell, Justin R. Caram, Eric R. Hudson, John M. Doyle
Summary: Rapid and repeated photon cycling has enabled precision metrology and quantum information systems. However, extending optical cycling to structurally complex molecules presents challenges. Recent work has explored the possibility of cycling larger molecules, pointing to a promising path for full quantum control of complex molecules.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Andrea Luigi Sorrentino, Giulia Serrano, Lorenzo Poggini, Brunetto Cortigiani, Khaled E. El-Kelany, Maddalena D'Amore, Anna Maria Ferrari, Andrea Atrei, Andrea Caneschi, Roberta Sessoli, Matteo Mannini
Summary: Experimental and theoretical studies were conducted to investigate the structure and growth mechanism of TiO2 ultrathin films on Cu(001). It was found that a complete and flat TiO2 bilayer with a lepidocrocite-like structure is observed at the earliest stages of growth on the Cu(001) surface. Ab initio calculations confirmed that the lepidocrocite-like structure is thermodynamically more stable on Cu(001) than the quasi-hexagonal structure, leading to the observed transition.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
A. Chiesa, M. Chizzini, E. Garlatti, E. Salvadori, F. Tacchino, P. Santini, I Tavernelli, R. Bittl, M. Chiesa, R. Sessoli, S. Carretta
Summary: This study aims to understand chiral-induced spin selectivity (CISS) through electron transfer processes at the single-molecule level, proposing simple magnetic resonance experiments using qubits as sensors. The research also highlights the significant role of chiral linkers in electron transfer.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Matteo Briganti, Fabio Santanni, Lorenzo Tesi, Federico Totti, Roberta Sessoli, Alessandro Lunghi
Summary: This study highlights the unique electronic and magnetic properties of lanthanide molecular complexes, focusing on the importance of understanding spin-phonon relaxation mechanisms for further advancements in synthetic chemistry. By computing relaxation times ab initio and examining spin-phonon coupling mechanisms, the research provides a novel set of chemically sound design rules for addressing spin relaxation at any temperature, offering a comprehensive guide for the future development of the field.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Matteo Briganti, Eva Lucaccini, Laura Chelazzi, Samuele Ciattini, Lorenzo Sorace, Roberta Sessoli, Federico Totti, Mauro Perfetti
Summary: The research identified a new trend named the f(n+7) effect, where magnetic complexes differing by seven f electrons exhibit similar magnetic anisotropy orientations. Experiments and theory confirmed the alignment of magnetic reference frames, and explained hidden similarities between ions with seemingly different shapes of magnetic anisotropy.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Davide Cicolari, Fabio Santanni, Leonardo Grassi, Francesca Brero, Marta Filibian, Teresa Recca, Paolo Arosio, Mauro Perfetti, Manuel Mariani, Roberta Sessoli, Alessandro Lascialfari
Summary: The study measured the longitudinal and transverse H-1 nuclear magnetic resonance relaxivities of Ln(III)-DOTA complexes and Mn(II) aqueous solutions. Data analysis showed good agreement with literature for Gd-DOTA and confirmed the negligibility of scalar interaction in the nuclear relaxation mechanism. Higher transverse relaxivities were observed for Dy-DOTA and Tb-DOTA compared to Er-DOTA, which is suggested to be due to a shorter residence time tau(m) possibly linked to fluctuations of the hyperfine interaction and different magnetic anisotropy. The potential use of Dy-DOTA, Tb-DOTA, and Er-DOTA as negative contrast agents for high-field MRI applications was discussed, with Dy- and Tb-derivatives showing similar transverse relaxivity at 16 T to Gd at 1.5 T.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Review
Nanoscience & Nanotechnology
Andreas J. Heinrich, William D. Oliver, Lieven M. K. Vandersypen, Arzhang Ardavan, Roberta Sessoli, Daniel Loss, Ania Bleszynski Jayich, Joaquin Fernandez-Rossier, Arne Laucht, Andrea Morello
Summary: Over the past three decades, nanoscience and quantum science have merged to create a new research field known as quantum-coherent nanoscience. This review focuses on the fundamental principles and practical applications of quantum coherence in nanoscale systems, as well as the challenges and opportunities ahead.
NATURE NANOTECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Davide Ranieri, Fabio Santanni, Alberto Privitera, Andrea Albino, Enrico Salvadori, Mario Chiesa, Federico Totti, Lorenzo Sorace, Roberta Sessoli
Summary: We report the synthesis of a new meso-meso (m-m) singly linked vanadyl-porphyrin dimer and its crystallization in two different pseudo-polymorphs. Electron paramagnetic resonance investigation reveals a small but crucial isotropic exchange interaction, J, between the two tilted spin centers. Experimental and DFT studies show a correlation between J values and porphyrin plane tilting angle and distortion. Pulsed EPR analysis demonstrates that the coherence time of the monomer is maintained in the dimers. The spin Hamiltonian parameters identify suitable transitions for computational basis states. These results, combined with the evaporability of porphyrin systems, establish this class of dimers as extremely promising for quantum information processing applications.
Article
Chemistry, Multidisciplinary
Alessandro Chiesa, Alberto Privitera, Emilio Macaluso, Matteo Mannini, Robert Bittl, Ron Naaman, Michael R. Wasielewski, Roberta Sessoli, Stefano Carretta
Summary: Molecular spins are potential building blocks for future quantum technologies due to the flexibility provided by chemistry. However, their weak interaction with external stimuli makes it difficult to access their state at the single-molecule level. A solution using the chirality-induced spin selectivity effect on electron transfer processes is envisioned, which enables initialization, manipulation, and single-spin readout of molecular qubits and qudits even at relatively high temperatures.
ADVANCED MATERIALS
(2023)
Article
Crystallography
Fabio Santanni, Laura Chelazzi, Lorenzo Sorace, Grigore A. Timco, Roberta Sessoli
Summary: Heterotopic ligands with chemically different binding centers are used to obtain heteronuclear metal complexes with different paramagnetic centers. This molecular approach has the potential to yield multi-spin adducts for quantum information processing. This study reports the structural and magnetic characterization of a novel adduct {Cr(pybd)(3)[Cu(cyclen)](2)}(BF4)(4), which demonstrates weak magnetic couplings and maintains distinctive EPR signals for Cr3+ and Cu2+ moieties.
Article
Chemistry, Physical
Claudio Pereti, Kevin Bernot, Thierry Guizouarn, Frantisek Laufek, Anna Vymazalova, Luca Bindi, Roberta Sessoli, Duccio Fanelli
Summary: We propose an approach based on DeepSet technology for supervised classification and regression of superconductive materials. The method takes the chemical constituents as input, avoiding artefacts from ordering in the list. Successful performance is achieved in classifying superconducting materials and quantifying their critical temperature. Using the trained neural network, we searched the International Mineralogical Association list and identified three superconducting candidates, confirming superconductivity in the synthetic analogue of michenerite and observing it for the first time in monchetundraite with critical temperatures in good agreement with theory predictions. This marks the first certified superconducting material identified through artificial intelligence methodologies.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Francielli S. Santana, Mauro Perfetti, Matteo Briganti, Francesca Sacco, Giordano Poneti, Enrico Ravera, Jaisa F. Soares, Roberta Sessoli
Summary: The article presents a dysprosium complex that is chemically designed to exhibit strong easy-axis type magnetic anisotropy preserved in dichloromethane solution at room temperature. The detailed theoretical and experimental studies explain the typical features of highly performant single molecule magnets (SMMs). The NMR characterization shows remarkably large chemical shifts, outperforming the current state-of-the-art pseudocontact shift (PCS) tags.
Article
Materials Science, Multidisciplinary
Andrea Luigi Sorrentino, Irene Cimatti, Giulia Serrano, Lorenzo Poggini, Brunetto Cortigiani, Luigi Malavolti, Edwige Otero, Philippe Sainctavit, Matteo Mannini, Roberta Sessoli, Andrea Caneschi
Summary: Thin inorganic films, like metal oxides, are commonly used as decoupling layers to optimize the interactions between magnetic layers of molecules and metallic surfaces. This study explored the potential of a titania monolayer as a decoupling layer for preserving molecular spin character. The results showed that the titania film displayed a decoupling effect comparable to that of a graphene layer.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Materials Science, Multidisciplinary
F. Tacchino, A. Chiesa, R. Sessoli, I. Tavernelli, S. Carretta
Summary: It is shown that molecular spin qudits are ideal for simulating the quantum dynamics of photon fields interacting with matter. The proposed molecular quantum simulator utilizes a dimer of spin 1/2 and spin S >= 3/2 transition metal ions controlled by microwave pulses to efficiently simulate a wide range of spin-boson models. Numerical simulations using realistic molecular parameters demonstrate the effectiveness of the proposal, and prerequisites for synthesizing suitable platforms are also discussed.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Simone Chicco, Alessandro Chiesa, Giuseppe Allodi, Elena Garlatti, Matteo Atzori, Lorenzo Sorace, Roberto De Renzi, Roberta Sessoli, Stefano Carretta
Summary: The research demonstrates that [VO(TPP)] is a promising system for implementing quantum computation algorithms based on encoding information in multi-level units, with applications in quantum error correction and simulation.
Article
Chemistry, Physical
Giulia Serrano, Andrea Luigi Sorrentino, Lorenzo Poggini, Brunetto Cortigiani, Claudio Goletti, Roberta Sessoli, Matteo Mannini
Summary: In this study, a terbium(iii)-bis(phthalocyaninato) neutral complex was deposited on the rutile TiO2(110) surface, and its interaction with the surface was studied using Scanning Tunneling Microscopy (STM) and X-ray Photoelectron Spectroscopy (XPS). The results showed that the TiO2 rutile surface favored the adsorption of isolated molecules in a lying down configuration, with the phthalocyanine planes tilted by about 30 degrees. Strong molecule-substrate interactions were observed, with evidence of charge transfer from the molecule to the surface.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
