activity
20222025
most citedLarge-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer

4 citations · 9 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.str-el2025★ 1 cited

Scalable tensor network algorithm for quantum impurity problems

Zhijie Sun, Ruofan Chen, Zhenyu Li +1

The Grassmann time-evolving matrix product operator method has shown great potential as a general-purpose quantum impurity solver, as its numerical errors can be well-controlled an…

physics.chem-ph2025

First Principles Reactive Flux Theory for Surface Reactions: Multiple Channels and Recrossing Dynamics

Chen Li, Xiongzhi Zeng, Yongle Li +3

Heterogenous reactions typically consist of multiple elementary steps and their rate coefficients are of fundamental importance in elucidating the mechanisms and micro-kinetics of…

cond-mat.str-el2024★ 2 cited

Infinite Grassmann time-evolving matrix product operators for quantum impurity problems after a quench

Zhijie Sun, Ruofan Chen, Zhenyu Li +1

An emergent numerical approach to solve quantum impurity problems is to encode the impurity path integral as a matrix product state. For time-dependent problems, the cost of this a…

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

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…

quant-ph2022★ 4 cited

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…