16 citations · 26 across the 17 of their papers we have counts for
17 papers
Embedded quantum computing for many-body surface reaction
Dedong Wan, Xiaopeng Li, Yi Fan +3
Predictive simulations of catalytic interfaces require correlated electronic-structure treatments that describe localized chemical transformations while retaining the influence of…
A High-Performance Pauli-Algebra Framework for Large-Scale Quantum Simulations
Xiaopeng Li, Zhijie Sun, Yi Fan +3
Efficient manipulation of Pauli-algebraic objects is a key bottleneck in the classical emulation and benchmarking of quantum algorithms for chemistry and many-body physics. This bo…
False Positives Raised by Quantum Readout Error Mitigation
Yibin Guo, Yi Fan, Pei Liu +7
Quantum readout error mitigation is essential for noisy intermediate-scale quantum devices to achieve reliable data. The conventional approaches, conflating initialization errors w…
Scalable parallel simulation of quantum circuits on CPU and GPU systems
Guolong Zhong, Yi Fan, Zhenyu Li
Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of curren…
Maximum Score Routing For Mixture-of-Experts
Bowen Dong, Yilong Fan, Yutao Sun +4
Routing networks in sparsely activated mixture-of-experts (MoE) dynamically allocate input tokens to top-k experts through differentiable sparse transformations, enabling scalable…
Quantum Equation-of-Motion Method with Single, Double, and Triple Excitations
Yuhan Zheng, Jie Liu, Zhenyu Li +1
The quantum equation-of-motion (qEOM) method with singles and doubles has been suggested to study electronically excited states while it fails to predict the excitation energies do…
NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry
Yangjun Wu, Chu Guo, Yi Fan +2
Neural network quantum state (NNQS) has emerged as a promising candidate for quantum many-body problems, but its practical applications are often hindered by the high cost of sampl…
Towards practical and massively parallel quantum computing emulation for quantum chemistry
Honghui Shang, Yi Fan, Li Shen +5
Quantum computing is moving beyond its early stage and seeking for commercial applications in chemical and biomedical sciences. In the current noisy intermediate-scale quantum comp…
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…
A real neural network state for quantum chemistry
Yangjun Wu, Xiansong Xu, Dario Poletti +3
The restricted Boltzmann machine (RBM) has been successfully applied to solve the many-electron Schrdinger equation. In this work we propose a single-layer fully c…
Differentiable matrix product states for simulating variational quantum computational chemistry
Chu Guo, Yi Fan, Zhiqian Xu +1
Quantum Computing is believed to be the ultimate solution for quantum chemistry problems. Before the advent of large-scale, fully fault-tolerant quantum computers, the variational…
The applications of EPR steering in quantum teleportation for two- or three-qubit system
Yi Fan, Liang Qiu, Chuanlei Jia +1
EPR steering is an important quantum resource in quantum information and computation. In this paper, its applications in quantum teleportation are investigated. First of all, the u…
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…
Large-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer
Honghui Shang, Li Shen, Yi Fan +11
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigens…
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…