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 Thermoelectric Nanomaterials in Semiconductor: Converting Heat to Electricity at the Nanoscale Thermoelectric nanomaterials are engineered to convert temperature differences into electrical energy through the thermoelectric effect at the nanoscale. These materials demonstrate enhanced electrical performance and reduced thermal conductivity due to size-dependent properties. For more details, please continue reading the full article under the following link: https://lnkd.in/e8jWZnYy -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

This study provides a comprehensive analysis of the carbon footprints (CFs) associated with lithium-ion batteries (LIBs) and their materials, highlighting the significant role of material sourcing over production location. By modeling CF distributions for two popular battery chemistries—nickel-manganese-cobalt (NMC811) and lithium-iron-phosphate (LFP)—the research identifies nickel and lithium as major contributors to emissions. Using a cost-based approach, emission curves for key materials were developed, showing wide variance based on mining and refining practices. This work emphasizes the need for targeted decarbonization strategies in the battery industry, including sustainable material sourcing and localized policies, to address the environmental challenges of LIB production and accelerate progress toward climate goals. For more details, please continue reading the full article under the following link: https://lnkd.in/e94ngeft -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

This study presents a multiscale structural optimization framework capable of designing hierarchical structures with prescribed deformations in the nonlinear elastic regime. Unlike traditional frameworks based on linear elasticity, this method integrates parameterized microscale geometries, enabling efficient manipulation to achieve specific mechanical behaviors, such as auxetic (negative Poisson’s ratio) or conventional (positive Poisson’s ratio) configurations. The framework employs concurrent coupling between microscale and macroscale models, significantly reducing computational costs by resolving only the necessary parameter space during optimization. High-fidelity simulations validated the approach, showing excellent accuracy with less than 10% error, even under significant strain conditions. This advancement supports applications in soft robotics, biomedical engineering, and crashworthiness, where nonlinear behaviors are critical. Future work aims to experimentally validate these designs and explore higher-order homogenization for more complex deformations. For more details, please continue reading the full article under the following link: https://lnkd.in/eWJd-ETc -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

Researchers from DGIST and the Korea Institute of Science and Technology have developed a novel technique to improve the performance and durability of perovskite solar cells by incorporating hydrogen-bonding additives. These additives form hydrogen bonds with organic substances in the perovskite solution, protecting the solar cells' components from rapid degradation. The method stabilizes the perovskite material, reducing defects and increasing the power conversion efficiency from 22.61% to 24.31%. Solar cells treated with these additives retained 96.7% efficiency after 140 days of storage and demonstrated excellent thermal stability, maintaining over 98% of their initial performance after 72.5 days at 85°C. This breakthrough addresses key challenges in perovskite solar cell commercialization, such as ion degradation and thermal instability. For more details, please continue reading the full article under the following link: https://lnkd.in/e-kG6Q9d -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

 Automotive Semiconductor Manufacturing: Industry Leaders Automotive semiconductors are specialized electronic components critical to the operation of modern vehicles. These semiconductors support a range of functions, including power management, infotainment, advanced driver-assistance systems (ADAS), and autonomous driving technologies. For more details, please continue reading the full article under the following link: https://lnkd.in/eMtq8cx5 -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

Redox-Switchable Multicolor Fluorescent Polymers for Theragnosis of Osteoarthritis A recent article published in Nature Communications explored an emission mechanism in bioactive polycysteine (PCys), an aliphatic polymer exhibiting high quantum yield, polymerization- and aggregation-induced emission, and multicolor emission characteristics. The polymer's anti-inflammatory and antioxidative activities are promising for in vivo theragnosis of osteoarthritis (OA). For more details, please continue reading the full article under the following link: https://lnkd.in/eWS34SuP -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

This article discusses the transformative potential of combining Graph AI and Generative AI in scientific discovery. Graph AI, which excels at analyzing networks and relationships, is applied in fields like drug discovery, protein folding, and genomics, while Generative AI is adept at creating novel outputs, such as molecules or hypotheses. Together, these technologies significantly accelerate innovation by addressing complex challenges in materials science, drug development, and genomics. For instance, they enable faster drug development by modeling molecule interactions and suggesting new compounds, enhance understanding of protein folding for targeted therapies, and aid in designing advanced materials and genetic sequences. Despite current limitations, such as data accessibility and model training complexity, their synergy is poised to revolutionize scientific advancements across disciplines. For more details, please continue reading the full article under the following link: https://lnkd.in/eyF3vUVV -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation

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This article showcases the advancement of digital chemistry through the Chemputer platform, which integrates high-level programming concepts like blueprints, iteration, and parallel execution into synthetic chemistry workflows. Researchers demonstrated these features by automating the synthesis of Hayashi-Jørgensen type chiral organocatalysts and employing them in stereoselective reactions. Using the Chemputer's programming language, χDL, they encoded generalized reaction protocols that adapt dynamically to different inputs, enabling efficient automation of complex multi-step processes. The study highlights the benefits of automation, such as precise catalyst recycling and the rapid generation of diverse compound libraries, streamlining labor-intensive tasks and ensuring reproducibility. This approach represents a paradigm shift in chemical synthesis, making advanced workflows accessible for scalable, automated chemistry. For more details, please continue reading the full article under the following link: https://lnkd.in/eB6sCHKK -------------------------------------------------------- In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular atomistic simulations! Best regards, Dr. Gabriele Mogni Technical Consultant and EU Representative Virtual Lab Inc., the parent company of the Materials Square platform Website: https://lnkd.in/eMezw8tQ Email: gabriele@simulation.re.kr #materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation