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
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

|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

Pageof 1

Frequent Collaborators

3 joint publications

Thomas F Miller

2 joint publications

Jiace Sun

1 joint publications

Vignesh C Bhethanabotla

1 joint publications

Weitang Li