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Lixue Cheng

6PUBLICATIONS
15CO-AUTHORS
Computational chemistryDegenerate quantum gases and atom opticsCarbon capture engineering (excl. sequestration)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterEvolutionary computation
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Journal

Publications (6)

Sort by Publication Date:
|Jun 01, 2026
Benchmarking Foundation Potentials against Quantum Chemistry Methods for Predicting Molecular Redox Potentials.

|Jan 21, 2025
Highly accurate real-space electron densities with neural networks.

Lixue Cheng, P Bernát Szabó, Zeno Schätzle

|Jan 03, 2024
Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach.

Jiace Sun, Lixue Cheng, Weitang Li

|Oct 22, 2022
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression.

Lixue Cheng, Jiace Sun, J Emiliano Deustua

|Sep 15, 2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning.

Jiace Sun, Lixue Cheng, Thomas F Miller

|Jul 20, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space.

Lixue Cheng, Jiace Sun, Thomas F Miller

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Frequent Collaborators

3 joint publications

Thomas F Miller

2 joint publications

Jiace Sun

1 joint publications

Vignesh C Bhethanabotla

1 joint publications

Weitang Li

1 joint publications

P Bernát Szabó

1 joint publications

Zeno Schätzle

1 joint publications

Derk P Kooi

1 joint publications

Jonas Köhler

1 joint publications

Klaas J H Giesbertz

1 joint publications

Frank Noé

Frequent Collaborators

3 joint publications

Thomas F Miller

2 joint publications

Jiace Sun

1 joint publications

Vignesh C Bhethanabotla

1 joint publications

Weitang Li