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Create: 2025-05-27 Update: 2025-07-07 18:45:57

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📌 استفاده از رایانش کوانتومی برای شبیه‌سازی مولکول متیلن: گامی به سوی شیمی کوانتومی کاربردی

🛎️ محققان IBM و Lockheed Martin با استفاده از یک پردازنده ۵۲ کیوبیتی، برای اولین بار توانستند حالات سینگلت و تریپلت مولکول متیلن (CH₂) را شبیه‌سازی کنند. این مطالعه که در مجله نظریه و محاسبات شیمیایی منتشر شده است، نشان داد که روش جدید دیافراگم کوانتومی مبتنی بر نمونه‌برداری (SQD) توانسته است فاصله انرژی سینگلت-تریپلت را با دقت بالا محاسبه کند که به‌طور قابل توجهی به داده‌های آزمایشگاهی نزدیک است.

💡این روش کوانتومی، به‌ویژه برای شبیه‌سازی سیستم‌های "open-shell" که به دلیل الکترون‌های بدون جفت و توابع موج چندپیکری خود بسیار پیچیده هستند، استفاده شده است. نتایج نشان داد که مدل کوانتومی به‌طور شگفت‌آوری دقیق‌تر از روش‌های سنتی محاسباتی عمل کرده و نشان‌دهنده پتانسیل استفاده از رایانش کوانتومی در حل چالش‌های شیمیایی و فیزیکی پیچیده است.

✅ تحلیل داده‌ها و نتایج
محققان با استفاده از روش SQD که مبتنی بر نمونه‌برداری از رشته‌های بیتی است، توابع موج مولکولی را بازسازی کرده و انرژی‌های حالت‌های سینگلت و تریپلت را محاسبه کردند. نتایج به‌دست‌آمده در حالت سینگلت با نتایج کلاسیک پیشرفته مطابقت زیادی داشت و فاصله انرژی بین دو حالت (۱۹ میلی-هارتی در مقابل ۱۴ میلی-هارتی در آزمایش‌ها) به‌طور قابل‌توجهی به داده‌های تجربی نزدیک بود. این مطالعه نشان داد که روش‌های کوانتومی می‌توانند ویژگی‌های مولکولی را با دقت بالا مدل‌سازی کنند.

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Quantum Insider

IBM, Lockheed Martin Team Reports Quantum Simulation is Closing Gap Between Theory and Experiment in Modeling Methylene

IBM and Lockheed Martin researchers used a quantum processor to simulate the singlet and triplet states of the methylene molecule.

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“To the extent it is used I fear it’s often for illicit finance. It’s an extremely inefficient way of conducting transactions, and the amount of energy that’s consumed in processing those transactions is staggering,” the former Fed chairwoman said. Yellen’s comments have been cited as a reason for bitcoin’s recent losses. However, Yellen’s assessment of bitcoin as a inefficient medium of exchange is an important point and one that has already been raised in the past by bitcoin bulls. Using a volatile asset in exchange for goods and services makes little sense if the asset can tumble 10% in a day, or surge 80% over the course of a two months as bitcoin has done in 2021, critics argue. To put a finer point on it, over the past 12 months bitcoin has registered 8 corrections, defined as a decline from a recent peak of at least 10% but not more than 20%, and two bear markets, which are defined as falls of 20% or more, according to Dow Jones Market Data.

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