ReviewNature reviews. Chemistry2022
Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations.
Review in Nature reviews. Chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Article
- Charge Density and Magnetic Properties in Cobalt(II) Single-Molecule Magnets: Impact of Ligand Substitution.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- Article
- Quantum Mechanics MP2 and CASSCF Study of Coordinate Quasi-Double Bonds in Cobalt(II) Complexes as Single Molecule Magnets.Nanomaterials (Basel, Switzerland) · 2025Article
- Exploring Single-Molecular Magnets for Quantum Technologies.Molecules (Basel, Switzerland) · 2025Article
- Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation.Journal of chemical theory and computation · 2025Article
- A machine-learning framework for accelerating spin-lattice relaxation simulations.npj computational materials · 2025Article
- Characterizing Subsurface Environments Using Borehole Magnetic Gradiometry.Sensors (Basel, Switzerland) · 2024Article
- Charting Regions of Cobalt's Chemical Space with Maximally Large Magnetic Anisotropy: A Computational High-Throughput Study.Journal of the American Chemical Society · 2024Article
- Electrochemical analysis of anticancer and antibiotic drugs in water and biological specimens.RSC advances · 2024Review
- Unravelling the role of spin-vibrational coupling in designing high-performance pentagonal bipyramidal Dy(iii) single ion magnets.Chemical science · 2024Article
- Review
- Article
- The critical role of ultra-low-energy vibrations in the relaxation dynamics of molecular qubits.Nature communications · 2023Article
- Machine Learning Predicting Optimal Preparation of Silica-Coated Gold Nanorods for Photothermal Tumor Ablation.Nanomaterials (Basel, Switzerland) · 2023Article
- Unraveling the Contributions to Spin-Lattice Relaxation in Kramers Single-Molecule Magnets.Journal of the American Chemical Society · 2022Article
- Data-driven design of molecular nanomagnets.Nature communications · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Having served as a playground for fundamental studies on the physics of d and f electrons for almost a century, magnetic molecules are now becoming increasingly important for technological applications, such as magnetic resonance, data storage, spintronics and quantum information. All of these applications require the preservation and control of spins in time, an ability hampered by the interaction with the environment, namely with other spins, conduction electrons, molecular vibrations and electromagnetic fields. Thus, the design of a novel magnetic molecule with tailored properties is a formidable task, which does not only concern its electronic structures but also calls for a deep understanding of the interaction among all the degrees of freedom at play. This Review describes how state-of-the-art ab initio computational methods, combined with data-driven approaches to materials modelling, can be integrated into a fully multiscale strategy capable of defining design rules for magnetic molecules.
Identifiers
37118096What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.