Lixue Cheng

7PUBLICATIONS
16CO-AUTHORS
Theoretical quantum chemistryComputational chemistryDegenerate quantum gases and atom opticsCarbon capture engineering (excl. sequestration)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (7)

|Sep 20, 2026
An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking.

|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

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Frequent Collaborators

3 joint publications

Thomas F Miller

2 joint publications

Jiace Sun

2 joint publications

Jonas Köhler

2 joint publications

Adam Foster