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Yang Hong

Yang Hong's Profile Photo

Senior Computational Scientist

Prior to joining the Research Computing Support team in 2021, Yang investigated the thermal and mechanical properties of low-dimensional materials with multi-scale theoretical approaches and machine learning methods during her doctoral research. Following her Ph.D., she studied physics and chemistry of perovskite systems and the development of novel machine learning methodologies for the dimensionality reduction of the electronic Hamiltonian as a Postdoc. Currently, she is responsible for facilitating the use of RCAC clusters and XSEDE Anvil cluster in research and working collaboratively with Purdue staff and national researchers.


  • Ph.D., Chemistry, University of Nebraska-Lincoln, Lincoln, NE (2019).
  • B.Sc., Mechanical Engineering, Iowa State University, Ames, IA (2013).

Work Experience

  • Postdoc, Chemistry, Georgia Institute of Technology, Atlanta, GA (2021).

Selected Publications

  • Yang Hong, D Han, B Hou, X Wang, J Zhang, High-Throughput Computations of Cross-Plane Thermal Conductivity in Multilayer Stanene, International Journal of Heat and Mass Transfer, 2021, 171, 121073
  • Yang Hong, B Hou, H Jiang, J Zhang, Machine Learning and Artificial Neural Network Accelerated Computational Discoveries in Materials Science, WIREs Computational Molecular Science, 2020, 10 (3), 1759-0876
  • Yang Hong, J Zhang, C Zhu, X. C. Zeng, J Francisco, Water desalination through rim functionalized carbon nanotubes, Journal of Materials Chemistry A, 2019, 7, 3583-3591
  • Yang Hong, Y Wu, S Wu, X Wang, J Zhang, Overview of computational simulations in quantum dots, 2019, 59, 1–13
  • Yang Hong, Z Zhang, J Zhang, X. C. Zeng, Machine learning and artificial neural network prediction of interfacial thermal resistance between graphene and hexagonal boron nitride, Nanoscale, 2018, 10 (40), 19092-19099
  • Yang Hong, J Zhang, X. C. Zeng, Monolayer and bilayer polyaniline C3N: two-dimensional semiconductors with high thermal conductivity, Nanoscale, 2018, 10, 4301-4310
  • Yang Hong, J Zhang, X. C. Zeng, Thermal transport in phosphorene and phosphorene-based materials: a review on numerical studies, Chinese Physics B, 2018, 27 (3), 036501
  • Yang Hong, M Ju, J Zhang, X. C. Zeng, Phonon thermal transport in graphene/MoSe2 van der Waals heterobilayer, Physical Chemistry Chemical Physics, 2018, 20, 2637-2645
  • Yang Hong, C Zhu, M Ju, J Zhang, X. C. Zeng, Lateral and flexural phonon thermal transport in graphene and stanene bilayer, Physical Chemistry Chemical Physics, 2017, 19, 6554-6562
  • Yang Hong, J Zhang, X. C. Zeng, Interlayer thermal conductance within phosphorene and graphene bilayer, Nanoscale, 2016, 8, 19211-19218
  • Yang Hong, J Zhang, X. C. Zeng, Thermal conductivity of monolayer MoSe2 and MoS2, Journal of Physical Chemistry C, 2016, 120 (45), 26067–26075
  • Yang Hong, J Zhang, X. C. Zeng, Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet, Physical Chemistry Chemical Physics, 2016, 18, 24164-24170
  • Yang Hong, J Zhang, X Huang, X. C. Zeng, Thermal conductivity of a two-dimensional phosphorene sheet: a comparative study with graphene, Nanoscale, 2015, 7, 18716-18724
  • Yang Hong, L Lei, X. C. Zeng, J Zhang, Tuning thermal contact conductance at graphene-copper interface via surface nanoengineering, Nanoscale, 2015, 7, 6286-6294

Other Activities and Fun Facts

  • Award:

    Nebraska Center for Materials and Nanoscience Graduate Research Fellowship Award, 2019

    Pill-Soon Song Outstanding Graduate Research Assistant Award, 2017

    Mechanical Engineering 270 Design Competition Award, 2012

    International Leadership Academy Scholarship, 2012

  • Yang is remote working in Florida.
  • Yang's dream is live in clearwater beach, Tampa.