density functional theory
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Intelligent Approaches to Functional Material Development
Abstract: By empowering systems to carry out tasks like decision-making and problem-solving that call for human-like intellect, artificial intelligence (AI) is revolutionizing technology. A key enabler of this progress is functional materials, designed through materials engineering to meet the needs of high-performance technologies like semiconductors, sensors, and memory storage. These materials are vital in ensuring AI systems operate efficiently by providing the computational power, energy efficiency, and sensory capabilities required. The …
Published in International Journal of Energetic Materials · Vol. 11, Issue 1, 2025 · pp. 11–15 Read article
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The Phenomenon of Photoelectron trap by Thylakoids, Hemi, and semiconductornanoparticles for Photodynamic therapy
Abstract: This research presents an overview of the comparison of photoelectron trap by both organic and analytic nanoparticles. The phenomenon of photon absorption by organic matter typically chlorophyll pigment (Thylakoids), Heme, and semiconductor nanoparticles such ZnO, TiO2, -Fe2O3 is the focus of current research. The study presents a way of optimizing photoelectron absorption for the applications in Photodynamic therapy. This phenomenon is studied by determining extinction, absorption and scattering probabilities by …
Published in International Journal of Applied Nanotechnology · Vol. 9, Issue 2, 2023 · pp. 1–11 Read article