D02 GPU based simulation in COVID-19 E-protein, pentameric ion-channel
作者:Kumar Saurabh
指導教授:Prof. Tony Wen-Hann Sheu, Prof. Maxim Solovchuk
學校單位:National Taiwan University
線上問答時段:7/2 10:00~12:00, 7/2 13:00~15:00, 7/3 10:00~12:00
In this study, we have used multiple GPUs to simulate three dimensional ion flow through a pentameric ion channel extracted from COVID-19 E protein. The problem is formulated using Poisson-Nernst-Planck (PNP) equations in conjunction with Lennrad Jones potential. We are using Immersed Boundary-Lattice Boltzmann Method (IB-LBM) to solve the system of equations. Further we have compared the performance of different sets of GPUs and implemented further parallelization to take full advantage of concurrency and data structuring.