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Supplymental information for my publications.

A markdown page summarizing the links of the paper and supplement data for my selected publications. For the track record of all my publications, please refer to my google-scholar profile.

  1. Dylan Folkner, Zekun Chen, Giuseppe Barbalinardo, Florian Knoop, Davide Donadio. "Elastic moduli and thermal conductivity of quantum materials at finite temperature" J. Appl. Phys. 136 (2024): 221101. paper, SI-data

  2. Siddharth Sonti, Chenghan Sun Zekun Chen, Robert Kowalski, Joseph Kowalski, Davide Donadio, Surl-Hee Ahn, Ambarish Kukani. "The Stability and Dynamics of Zeolite-Confined Gold Nanoclusters." J. Chem. Theory Comput. 20.18 8261–8269 (2024). paper, SI-data

  3. Zekun Chen, Margaret L. Berrens, Kam Tung Chan, Zheyong Fan, Davide Donadio. "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential." J. Chem. Eng. Data (2023). paper, SI-data

  4. Margaret L . Berrens, Zekun Chen, Kam Tung Chan, Cort Anastasio, Davide Donadio. "Solvation Structure and UV-Visible Absorption Spectra of the Nitrate Anion at the Air-Ice Interface by First Principles Molecular Simulations." ACS Earth Space Chem (2023). paper. SI-data

  5. Zekun Chen, Fernanda C Bononi, Charles A Sievers, Wang-Yeuk Kong, Davide Donadio. "UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning." J. Chem. Theory Comput. 18.8 (2022): 4891-4902. paper, SI-Data

  6. Hullar, Ted, Theo Tran, Zekun Chen, Fernanda Bononi, Oliver Palmer, Davide Donadio, and Cort Anastasio. "Enhanced photodegradation of dimethoxybenzene isomers in/on ice compared to in aqueous solution." Atmos. Chem. Phys 22, no. 9 (2022): 5943-5959. paper, SI-Data

  7. Giuseppe Barbalinardo, Zekun Chen, Haikuan Dong, Zheyong Fan, and Davide Donadio."Ultrahigh Convergent Thermal Conductivity of Carbon Nanotubes from Comprehensive Atomistic Modeling." Phys. Rev. Lett. 127.2 (2021): 025902. paper, SI-data

  8. Fernanda C. Bononi, Zekun Chen, Oliviero Andreussi, Ted Hullar, Cort Anastasio, Davide Donadio. "Bathochromic shift in the UV-Visible Absorption Spectra of Phenolic Molecules at Ice Surfaces: insights from First-Principles Calculations." J. Phys. Chem. A 124.44 (2020): 9288-9298. paper, SI-data

  9. G. Barbalinardo, Zekun Chen, N. Lundgren, Davide Donadio. "Efficient Anharmonic Lattice Dynamics Calculations of Thermal Transport in Crystalline and Disordered Solids." J. Appl. Phys 128.13 (2020): 135104. paper, SI-data

Need extra materials or encouter broken links? Please send an email at zkuchen@ucdavis.edu. Thanks :)