LabCompass

Ke Xu

Materials Science · Purdue University West Lafayette

OpenAlex ORCID
Established · publishing since 1986
Thermal properties of materialsMachine Learning in Materials ScienceGraphene research and applicationsMetal and Thin Film MechanicsAdvanced Thermoelectric Materials and Devices

Publications

188

Citations

4,103

Est. group size

—

Recurring co-author estimate

Active years

41

Publishing since 1986

Research summary
AI-generated

Ke Xu's work centers on computational materials science, particularly developing and applying machine-learning interatomic potentials (models trained to predict how atoms interact, allowing large and fast atomistic simulations) to study heat transport, mechanical behavior, and structural transitions in materials such as graphene, diamond, silicon nanowires, and two-dimensional materials. A notable focus is the 'neuroevolution potential' (NEP) method and the GPUMD simulation software, which are used to model thermal conductivity, phonon transport, and thermoelectric performance. Note that the publication list also includes several unrelated biomedical and food-science papers, suggesting either a name-sharing issue in the data or a very broad, multidisciplinary output; prospective students should verify authorship carefully.

Machine-learned interatomic potentialsThermal and phonon transport in nanomaterialsMolecular dynamics simulation methodsTwo-dimensional materials (e.g., graphene) and thermoelectricsComputational materials science software development

Publication output has grown from a handful of papers in 2017 to over 20 per year by 2022 and 2025, indicating an overall increasing and fairly high publication activity in recent years, though with some year-to-year fluctuation.

Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026

Publication cadence
Publications per year over the last 10 years — averaging 15.8/year recently
2017: 3 publications172018: 12 publications182019: 8 publications192020: 17 publications202021: 14 publications212022: 23 publications23222023: 13 publications232024: 12 publications242025: 23 publications23252026: 8 publications26
Recent publications
Publishes in
  • arXiv (Cornell University)×15
  • The Journal of Chemical Physics×4
  • Nanoscale×4
  • Research Square×4
  • Journal of Applied Physics×3
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This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.

Last updated Jul 20, 2026.

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