报告题目：A Characteristic-Spectral-Mixed Scheme for Six-Dimensional Wigner-Coulomb Dynamics

报告时间：2022-10-06  14:30 - 15:30

报告人：熊云丰   北京师范大学

腾讯会议ID：903-392-185

报告链接：https://meeting.tencent.com/dm/FKbMS3QMdGCA

Abstract：Numerical resolution for 6-D Wigner dynamics under the Coulomb potential faces with the combined challenges of high dimensionality, nonlocality, oscillation and singularity. In particular, the extremely huge memory storage of 6-D grids hinders the usage of all existing deterministic numerical scheme, which is well-known as the curse of dimensionality. To surmount these difficulties, we propose a massively parallel solver, termed the CHAracteristic-Spectral-Mixed (CHASM) scheme, by fully exploiting two distinct features of the Wigner equation: Locality of spatial advection and nonlocality of quantum interaction. Our scheme utilizes the local cubic B-spline basis to interpolate the local spatial advection. The key is to use a perfectly matched boundary condition to give a closure of spline coefficients, so that distributed pieces can recover the global one as accurately as possible owing to the rapid decay of wavelet basis in the dual space, and communication costs are significantly reduced. To resolve the nonlocal pseudodifferential operator with weakly singular symbol, CHASM further adopts the truncated kernel method to attain a highly efficient approximation. Combining these endeavors, we have succeeded in simulating the non-equilibrium electron-proton couplings on a mesh with more than two-hundred-billion degrees of freedom, and several typical experiments including the quantum harmonic oscillator and Hydrogen 1s state demonstrate the accuracy and efficiency of CHASM. Finally, the scalability of CHASM up to 16000 cores is presented. This is a joint work with Prof. Yong Zhang at Tianjin University and Prof. Sihong Shao at Peking University.