activity
20202024
most citedKSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set

24 citations · 45 across the 12 of their papers we have counts for

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7 papers · 1 filter

quant-ph2024

Accurate Chemical Reaction Modeling on Noisy Intermediate-Scale Quantum Computers Using a Noise-Resilient Wavefunction Ansatz

Xiongzhi Zeng, Huili Zhang, Shizheng Zhang +7

Quantum computing is of great potential for chemical system simulations. In this study, we propose an efficient protocol of quantum computer based simulation of chemical systems wh…

quant-ph2024

Perturbative variational quantum algorithms for material simulations

Jie Liu, Zhenyu Li, Jinlong Yang

Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigens…

quant-ph2023★ 2 cited

Solving Schrödinger Equation with a Language Model

Honghui Shang, Chu Guo, Yangjun Wu +2

Accurately solving the Schrödinger equation for intricate systems remains a prominent challenge in physical sciences. A paradigm-shifting approach to address this challenge involve…

quant-ph2023

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…

quant-ph2023

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…

quant-ph2022★ 1 cited

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…

quant-ph2022★ 16 cited

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…