Truncation Effects of Shift Function Methods in Bulk Water Systems
A reduction of the cost for long-range interaction calculation is essential for large-scale molecular systems that contain a lot of point charges. Cutoff methods are often used to reduce the cost of long-range interaction calculations. Molecular dynamics (MD) simulations can be accelerated by using...
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| Формат: | Стаття |
| Мова: | English |
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MDPI AG
2013-08-01
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| Серія: | Entropy |
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| Онлайн доступ: | http://www.mdpi.com/1099-4300/15/8/3249 |