Optimizing two-electron repulsion integral calculations with McMurchie–Davidson method on graphic processing unit

2021 ◽  
Vol 155 (3) ◽  
pp. 034112
Author(s):  
Yingqi Tian ◽  
Bingbing Suo ◽  
Yingjin Ma ◽  
Zhong Jin
2016 ◽  
Vol 45 (3) ◽  
pp. 310001 ◽  
Author(s):  
倪小龙 NI Xiao-long ◽  
刘智 LIU Zhi ◽  
姜会林 JIANG Hui-lin ◽  
陈纯毅 CHEN Chun-yi ◽  
刘艺 LIU Yi ◽  
...  

2013 ◽  
Vol 11 ◽  
pp. 184-190 ◽  
Author(s):  
Ali Maroosi ◽  
Ravie Chandren Muniyandi ◽  
Elankovan A. Sundararajan ◽  
Abdullah Mohd Zin

2012 ◽  
Vol 24 (01) ◽  
pp. 9-15 ◽  
Author(s):  
Chi-Lin Yang ◽  
Been-Der Yang ◽  
Jaw-Lin Wang

Digitally reconstructed radiograph (DRR) from CT volumetric data has been used in numerous medical applications such as 3D treatment planning and CT-to-fluoroscopic alignment. The poor efficiency of the DRR generation is the main problem in such applications. Many researches have been attempted to accelerate the DRR calculation. However, the performance and precision cannot be achieved without the sacrifice of one or the other. In this study, a fast and high precision DRR generation method is proposed on a consumer PC platform. Instead of using CPU, the method takes the advantages of the powerful parallel computation and flexible programming capability of the graphic processing unit (GPU) to reach almost interactive rendering rate while maintaining 12-bit precision of the original CT data. This method can generate DRR images at 4.6 frames per second using 512 × 512 × 261 dataset in the 512 × 512 view port, and its precision is compatible to that generated by the CPU-based method. Besides, in order to simulate clinical radiograph images, a compensation filter is implemented in the DRR generation to compensate varying thickness of bone structures. The additional compensation filter can achieve a DRR image with more uniform optical density but takes no obvious performance overhead.


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