Zobrazeno 1 - 10
of 139
pro vyhledávání: '"DAI Xiaoying"'
With the rapid development of machine learning, numerical discretization methods based on deep neural networks have been widely used in many fields, especially in solving high-dimensional problems where traditional methods face bottlenecks. However,
Externí odkaz:
http://arxiv.org/abs/2410.13358
The parallel orbital-updating approach is an orbital iteration based approach for solving eigenvalue problems when many eigenpairs are required, and has been proven to be very efficient, for instance, in electronic structure calculations. In this pap
Externí odkaz:
http://arxiv.org/abs/2409.00767
In this paper, we propose an augmented subspace based adaptive proper orthogonal decomposition (POD) method for solving the time dependent partial differential equations. By augmenting the POD subspace with some auxiliary modes, we obtain an augmente
Externí odkaz:
http://arxiv.org/abs/2304.09007
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput. Phys. 384, 99
Externí odkaz:
http://arxiv.org/abs/2301.01393
Publikováno v:
In Journal of Computational Physics 1 October 2024 514
In this paper, we investigate the energy minimization model of the ensemble Kohn-Sham density functional theory for metallic systems, in which a pseudo-eigenvalue matrix and a general smearing approach are involved. We study the invariance and the ex
Externí odkaz:
http://arxiv.org/abs/2201.07035
To obtain convergent numerical approximations without using any orthogonalization operations is of great importance in electronic structure calculations. In this paper, we propose and analyze a class of iteration schemes for the discretized Kohn- Sha
Externí odkaz:
http://arxiv.org/abs/2111.02779
In this paper, we study the adaptive planewave discretization for a cluster of eigenvalues of second-order elliptic partial differential equations. We first design an a posteriori error estimator and prove both the upper and lower bounds. Based on th
Externí odkaz:
http://arxiv.org/abs/2106.01008
Publikováno v:
Journal of Practical Medicine / Shiyong Yixue Zazhi. 5/25/2024, Vol. 40 Issue 10, p1402-1406. 5p.