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GPGPU for orbital function evaluation with a new updating scheme
GPGPU orbital function evaluation new updating scheme Computational Physics
2012/4/19
We accelerated an {\it ab-initio} QMC electronic structure calculation by using GPGPU. The bottleneck of the calculation for extended solid systems is replaced by CUDA-GPGPU subroutine kernels which b...
视频：南京大学大学物理学第37讲 Wave function。
q-exponential distribution in time correlation function of water hydrogen bonds
Water hydrogen bonds q-statistics Cage effect
2010/7/5
In a series of molecular dynamics simulations we analyzed structural and dynamics properties of water at different temperatures (213 K to 360 K), using the Simple Point Charge-Extended (SPC/E) water. ...