Sökning: "Davood Saffar Shamshirgar"

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1. 1. Fast methods for electrostatic calculations in molecular dynamics simulations

   Författare :Davood Saffar Shamshirgar; Anna-Karin Tornberg; Berk Hess; Robert Krasny; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Tillämpad matematik och beräkningsmatematik; Applied and Computational Mathematics;

   Sammanfattning : This thesis deals with fast and efficient methods for electrostatic calculations with application in molecular dynamics simulations. The electrostatic calculations are often the most expensive part of MD simulations of charged particles. Therefore, fast and efficient algorithms are required to accelerate these calculations. LÄS MER