314 citations · 1.3k across the 32 of their papers we have counts for
32 papers
Quantum Neural Network Inspired Hardware Adaptable Ansatz for Efficient Quantum Simulation of Chemical Systems
Xiongzhi Zeng, Yi Fan, Jie Liu +2
The variational quantum eigensolver is a promising way to solve the Schrödinger equation on a noisy intermediate-scale quantum (NISQ) computer, while its success relies on a well-d…
Quantum circuit matrix product state ansatz for large-scale simulations of molecules
Yi Fan, Jie Liu, Zhenyu Li +1
As in the density matrix renormalization group (DMRG) method, approximating many-body wave function of electrons using a matrix product state (MPS) is a promising way to solve elec…
Quasi-Perron-Frobenius property of a class of saddle point matrices
Zheng Li, Tie Zhang, Chang-Jun Li
The saddle point matrices arising from many scientific computing fields have block structure , where the sub-block…
Divide-and-conquer variational quantum algorithms for large-scale electronic structure simulations
Huan Ma, Yi Fan, Jie Liu +3
Exploring the potential application of quantum computers in material design and drug discovery has attracted a lot of interest in the age of quantum computing. However, the quantum…
QChemistry: A quantum computation platform for quantum chemistry
Yi Fan, Jie Liu, Xiongzhi Zeng +4
Quantum computer provides new opportunities for quantum chemistry. In this article, we present a versatile, extensible, and efficient software package, named QChemistry, for de…
Exploring accurate potential energy surfaces via integrating variational quantum eigensovler with machine learning
Yanxian Tao, Xiongzhi Zeng, Yi Fan +3
The potential energy surface (PES) is crucial for interpreting a variety of chemical reaction processes. However, predicting accurate PESs with high-level electronic structure meth…