Research output per year
Research output per year
Personal profile
Research interests
Computer Science / Information Technology - AI for Science
Chemistry - Electronic structure
Computer Science / Information Technology - Generative AI and Large language model
Chemistry - Computational chemistry
Chemistry - Physical and theoretical chemistry
Chemistry - Electronic structure
Computer Science / Information Technology - Generative AI and Large language model
Chemistry - Computational chemistry
Chemistry - Physical and theoretical chemistry
Related documents
Education/Academic qualification
PhD in Chemistry, PhD, California Institute of Technology
2022
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 13 Climate Action
Fingerprint
Dive into the research topics where Sherry Lixue CHENG is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Benchmarking Foundation Potentials against Quantum Chemistry Methods for Predicting Molecular Redox Potentials
Chen, Y., Cheng, L., Jing, Y. & Zhong, P., 23 Jan 2026, In: Precision Chemistry. 4, 5, p. 612-621 10 p.Research output: Contribution to journal › Journal Article › peer-review
Open Access1 Link opens in a new tab Citation (Scopus) -
Diffusion Monte Carlo Study of the Structure and Spectroscopy of H3O–
Jacobson, G. M., Webb, A. W., Cheng, L. & McCoy, A. B., 27 Nov 2025, In: Journal of Physical Chemistry A. 129, 47, p. 10928-10939 12 p.Research output: Contribution to journal › Journal Article › peer-review
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Highly accurate real-space electron densities with neural networks
Cheng, L., Szabó, P. B., Schätzle, Z., Kooi, D. P., Köhler, J., Giesbertz, K. J. H., Noé, F., Hermann, J., Gori-Giorgi, P. & Foster, A., 21 Jan 2025, In: The Journal of Chemical Physics. 162, 3, 034120.Research output: Contribution to journal › Journal Article › peer-review
9 Link opens in a new tab Citations (Scopus) -
Machine Learning Approaches for Developing Potential Surfaces: Applications to OH-(H2O)n (n = 1-3) Complexes
Jacobson, G. M., Cheng, L., Bhethanabotla, V. C., Sun, J. & McCoy, A. B., 27 Mar 2025, In: Journal of Physical Chemistry A. 129, 12, p. 2958-2972 15 p.Research output: Contribution to journal › Journal Article › peer-review
4 Link opens in a new tab Citations (Scopus) -
Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and applications
Sun, J., CHENG, L. & Zhang, S.-X., 24 Jun 2025, In: Quantum. 9, p. 1782 1 p.Research output: Contribution to journal › Journal Article › peer-review
3 Link opens in a new tab Citations (Scopus)
Activities
- 2 Invited
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AI for electronic structure: From theoretically modeling of Wavefunction foundation models to computationally predicting property foundation models
CHENG, L. (Invited speaker)
14 Nov 2025Activity: Talk or presentation › Invited
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AI for electronic structure From ab initio wavefunction modeling to property prediction
CHENG, L. (Invited speaker)
20 Sept 2025 → 23 Sept 2025Activity: Talk or presentation › Invited