Exploring the landscape of Buckingham potentials for silica by machine learning: Soft vs hard interatomic forcefields
نویسندگان
چکیده
منابع مشابه
Machine Learning methods for interatomic potentials: application to boron carbide
Total energies of crystal structures can be calculated to high precision using quantumbased density functional theory (DFT) methods, but the calculations can be time consuming and scale badly with system size. Boron carbide exhibits disorder in the distribution of boron and carbon atoms among the crystallographic sites. A cluster expansion of the DFT energy in a series of pairs, triplets, etc. ...
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این پایان نامه بدنبال بررسی کاربرد ارزیابی مستمر در یک محیط یادگیری زبان دوم از طریق طرح چهار سوال تحقیق زیر بود: (1) درک توانایی های فراگیران زمانیکه که از طریق برآورد عملکرد مستقل آنها امکان پذیر نباشد اما در طول جلسات ارزیابی مستمر مشخص شوند; (2) امکان تقویت توانایی های فراگیران از طریق ارزیابی مستمر; (3) سودمندی ارزیابی مستمر در هدایت آموزش فردی به سمتی که به منطقه ی تقریبی رشد افراد حساس ا...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5136041