The future of 2D materials: grand challenges and opportunities – Physics World
https://physicsworld.com/a/the-future-of-2d-materials-grand-challenges-and-opportunities/
https://physicsworld.com/a/the-future-of-2d-materials-grand-challenges-and-opportunities/
Physics World
The future of 2D materials: grand challenges and opportunities – Physics World
Available to watch now, IOP Publishing's journal, 2D Materials, explores the future of 2D materials: grand challenges and opportunities. Sponsored by Paragraf
Forwarded from Umedjon Khalilov
Dynamics of growing carbon nanotube interfaces probed by machine learning-enabled molecular simulations | Nature Communications
https://www.nature.com/articles/s41467-024-47999-7
https://www.nature.com/articles/s41467-024-47999-7
Nature
Dynamics of growing carbon nanotube interfaces probed by machine learning-enabled molecular simulations
Nature Communications - There is a lack of atomic level insight on the role of defects on carbon nanotubes' growth. Here, authors present a machine learning force field to drive...
The Sodium Solution: Reducing Costs and Complexity in Batteries
https://scitechdaily.com/the-sodium-solution-reducing-costs-and-complexity-in-batteries/
https://scitechdaily.com/the-sodium-solution-reducing-costs-and-complexity-in-batteries/
SciTechDaily
The Sodium Solution: Reducing Costs and Complexity in Batteries
Simulations of microstructures demonstrate a significant impact of elastic deformation on the charging characteristics of layered oxides employed as cathodes in sodium-ion batteries. Research is focused on enhancing the performance, longevity, and affordability…
Combined study of phase transitions in the P2-type NaXNi1/3Mn2/3O2 cathode material: experimental, ab-initio and multiphase-field results | npj Computational Materials
https://www.nature.com/articles/s41524-024-01258-x
https://www.nature.com/articles/s41524-024-01258-x
Nature
Combined study of phase transitions in the P2-type NaXNi1/3Mn2/3O2 cathode material: experimental, ab-initio and multiphase-field…
npj Computational Materials - Combined study of phase transitions in the P2-type NaXNi1/3Mn2/3O2 cathode material: experimental, ab-initio and multiphase-field results
Active learning of ternary alloy structures and energies | npj Computational Materials
https://www.nature.com/articles/s41524-024-01256-z
https://www.nature.com/articles/s41524-024-01256-z
Nature
Active learning of ternary alloy structures and energies
npj Computational Materials - Active learning of ternary alloy structures and energies
ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models | Nature Communications
https://www.nature.com/articles/s41467-024-48998-4
https://www.nature.com/articles/s41467-024-48998-4
Nature
ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models
Nature Communications - LLMs can be augmented with tools to increase their capabilities. Here, authors have developed an artificial intelligence system called ChatMOF combining LLMs and specialised...
Forwarded from Computational Materials Science - Uzbekistan (Umedjon Khalilov)
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Computational Materials Science:
- Simulation of material properties.
- Molecular and atomic modeling techniques.
- Applications of computational methods in materials research.
- Simulation of material properties.
- Molecular and atomic modeling techniques.
- Applications of computational methods in materials research.
5 Machine Learning Models Explained in 5 Minutes - KDnuggets
https://www.kdnuggets.com/5-machine-learning-models-explained-in-5-minutes
https://www.kdnuggets.com/5-machine-learning-models-explained-in-5-minutes
KDnuggets
5 Machine Learning Models Explained in 5 Minutes
Learn about the most popular machine learning models, understand how they work, and discover the best free courses to master them.
Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations | npj Quantum Information
https://www.nature.com/articles/s41534-024-00851-8
https://www.nature.com/articles/s41534-024-00851-8
Nature
Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations
npj Quantum Information - Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations
Researchers develop a roadmap for the development of information technology based on 2D materials
https://phys.org/news/2024-06-roadmap-technology-based-2d-materials.html
https://phys.org/news/2024-06-roadmap-technology-based-2d-materials.html
phys.org
Researchers develop a roadmap for the development of information technology based on 2D materials
In a significant stride forward for the semiconductor industry, a new review paper from the "Shuang-Qing Forum" offers a comprehensive overview of the advancements and strategic roadmap for two-dimensional ...
A chain of copper and carbon atoms may be the thinnest metallic wire
https://phys.org/news/2024-06-chain-copper-carbon-atoms-thinnest.html
https://phys.org/news/2024-06-chain-copper-carbon-atoms-thinnest.html
phys.org
A chain of copper and carbon atoms may be the thinnest metallic wire
Researchers from the Laboratory for Theory and Simulation of Materials at EPFL in Lausanne, part of the NCCR MARVEL, have used computational methods to identify what could be the thinnest possible metallic ...
Scientists make and test efficient water-splitting catalyst predicted by theory
https://phys.org/news/2024-06-scientists-efficient-catalyst-theory.html
https://phys.org/news/2024-06-scientists-efficient-catalyst-theory.html
phys.org
Scientists make and test efficient water-splitting catalyst predicted by theory
Hydrogen (H2) is a promising fuel for reducing greenhouse gases, especially if produced by using renewable energy to split water molecules (H2O). But as simple as it may seem to break water into hydrogen ...
Computational discovery of fast interstitial oxygen conductors | Nature Materials
https://www.nature.com/articles/s41563-024-01919-8
https://www.nature.com/articles/s41563-024-01919-8
Nature
Computational discovery of fast interstitial oxygen conductors
Nature Materials - Interstitial oxygen conductors have the potential to enable efficient oxygen-ion transport at lower temperatures. An approach combining physically motivated structure and...
Scientists assess the impact of elevated pressure on photoelectrochemical water splitting via multiphysics modeling, finding that operating at 6–8 bar optimizes efficiency by minimizing losses, optimizing bubble characteristics, and reducing optical losses, thus enhancing hydrogen production for practical applications.
More details read the article.
https://doi.org/10.1038/s41467-024-49273-2
More details read the article.
https://doi.org/10.1038/s41467-024-49273-2
Nature
Assessing elevated pressure impact on photoelectrochemical water splitting via multiphysics modeling
Nature Communications - Solar water splitting devices, though often demonstrated at atmospheric pressure, need to deliver H2 at high pressure for many applications. Here the authors use...