activity
20192026
most citedQuantum Machine Learning for Chemistry and Physics

160 citations · 225 across the 15 of their papers we have counts for

collaborators

15 papers

quant-ph2026

Exact Realization of Deep ReLU Computation in a Microscopic Statistical-Mechanical System

Junxu Li

Understanding the physical origin of the piecewise-linear computation in deep rectified linear unit (ReLU) networks remains a fundamental challenge. Here we establish an exact stat…

quant-ph2026

Bridge the Gap between Classical and Quantum Neural Networks with Residual Connections

Junxu Li

We introduce a Hybrid Quantum Residual Network (HQRN) and establish an exact functional correspondence between its state evolution and the dynamics of classical networks with resid…

cs.LG2025

PR-CapsNet: Pseudo-Riemannian Capsule Network with Adaptive Curvature Routing for Graph Learning

Ye Qin, Jingchao Wang, Yang Shi +5

Capsule Networks (CapsNets) show exceptional graph representation capacity via dynamic routing and vectorized hierarchical representations, but they model the complex geometries of…

quant-ph2025

Knowledge Distillation Inspired Variational Quantum Eigensolver with Virtual Annealing

Junxu Li

In this paper, we propose a Knowledge Distillation Inspired Variational Quantum Eigensolver (KD-VQE). Inspired by the virtual distillation process in knowledge distillation (KD), K…

quant-ph2024

A Feasible Design of Elementary Quantum Arithmetic Logic Units for Near-Term Quantum Computers

Junxu Li

Quantum arithmetic logic units (QALUs) constitute a fundamental component of quantum computing. However, the implementation of QALUs on near-term quantum computers remains a substa…

quant-ph2024

Quantum Circuit for High Order Perturbation Theory Corrections

Junxu Li, Xingyu Gao

Perturbation theory (PT) might be one of the most powerful and fruitful tools for both physicists and chemists, which has led to a wide variety of applications. Over the past decad…

quant-ph2024★ 8 cited

An Iterative Method to Improve the Precision of Quantum Phase Estimation Algorithm

Junxu Li

Here we revisit the quantum phase estimation (QPE) algorithm, and devise an iterative method to improve the precision of QPE with propagators over a variety of time spans. For a gi…

quant-ph2023★ 1 cited

Møller-Plesset Perturbation Theory Calculations on Quantum Devices

Junxu Li, Xingyu Gao, Manas Sajjan +3

Accurate electronic structure calculations might be one of the most anticipated applications of quantum computing.The recent landscape of quantum simulations within the Hartree-Foc…

quant-ph2022★ 16 cited

Towards Perturbation Theory Methods on a Quantum Computer

Junxu Li, Barbara A. Jones, Sabre Kais

Perturbation theory (PT) might be one of the most powerful and fruitful tools for both physicists and chemists, which evoked an explosion of applications with the blooming of atomi…

physics.chem-ph2021★ 160 cited

Quantum Machine Learning for Chemistry and Physics

Manas Sajjan, Junxu Li, Raja Selvarajan +5

Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automat…

quant-ph2021

Statistical correlation between quantum entanglement and spin-orbit coupling in crossed beam molecular dynamics

Junxu Li, Manas Sajjan, Sumit Suresh Kale +1

Non-classical features like interference is already being harnessed to control the output of chemical reactions. However quantum entanglement which is an equally enigmatic many-bod…

quant-ph2021★ 2 cited

Quantum Cluster Algorithm for Data classification

Junxu Li, Sabre Kais

We present a quantum algorithm for data classification based on the nearest-neighbor learning algorithm. The classification algorithm is divided into two steps: Firstly, data in th…

quant-ph2021★ 7 cited

A Universal Quantum Circuit Design for Periodical Functions

Junxu Li, Sabre Kais

We propose a universal quantum circuit design that can estimate any arbitrary one-dimensional periodic functions based on the corresponding Fourier expansion. The quantum circuit c…

quant-ph2021★ 5 cited

A practical quantum encryption protocol with varying encryption configurations

Junxu Li, Zixuan Hu, Sabre Kais

Quantum communication is an important application that derives from the burgeoning field of quantum information and quantum computation. Focusing on secure communication, quantum c…

quant-ph2019★ 26 cited

Entanglement Classifier in Chemical Reactions

Junxu Li, Sabre Kais

Ever since the appearance of the seminal work of Einstein, Podolsky and Rosen (The EPR-paradox), the phenomenon of entanglement, which features the essential difference between cla…