2 citations · 3 across the 6 of their papers we have counts for
6 papers
Nonadiabatic Molecular Dynamics on Real-time Excited-State Surfaces via Machine Learning Hamiltonians
Changwei Zhang, Yang Zhong, Zhi-Guo Tao +6
Simulating the coupled, nonequilibrium dynamics of electrons and nuclei is a central challenge in chemistry, physics, and materials science, governing phenomena from photocatalysis…
The Convergence and Error Analysis of Coordinate Descent Methods with Compression for Full Configuration Interaction
Yingzhou Li, Qiang Wu
We study the effect of compression in Coordinate Descent Full Configuration Interaction (CDFCI) within an unconstrained optimization formulation of the full configuration interacti…
A quantum algorithm for linear autonomous differential equations via Padé approximation
Dekuan Dong, Yingzhou Li, Jungong Xue
We propose a novel quantum algorithm for solving linear autonomous ordinary differential equations (ODEs) using the Padé approximation. For linear autonomous ODEs, the discretized…
Parallel Multi-Coordinate Descent Methods for Full Configuration Interaction
Yuejia Zhang, Weiguo Gao, Yingzhou Li
We develop a multi-threaded parallel coordinate descent full configuration interaction algorithm (mCDFCI), for the electronic structure ground-state calculation in the configuratio…
Fast randomized algorithms for low-rank matrix approximations with applications in global comparative analysis of a class of data sets
Weiwei Xu, Weijie Shen, Wen Li +2
Generalized singular values (GSVs) play an essential role in the comparative analysis. In the real world data for comparative analysis, both data matrices are usually numerically l…
Resource Efficient Boolean Function Solver on Quantum Computer
Xiang Li, Hanxiang Shen, Weiguo Gao +1
Nonlinear boolean equation systems play an important role in a wide range of applications. Grover's algorithm is one of the best-known quantum search algorithms in solving the nonl…