Publications
Since Duke
1. Monte Carlo study of the axial next-nearest-neighbor Ising model (link) , K. Zhang and P. Charbonneau, Phys. Rev. Lett. 104, 195703 (2010)
2. Reentrant and Isostructural Transitions in a Cluster-Crystal Former (link), K. Zhang, P. Charbonneau, and B. M. Mladek, Phys. Rev. Lett. 105, 245701 (2010) reported by Duke Research
3. Uranyl-Glycine-Water Complexes in Solution: Comprehensive Computational Modeling of Coordination Geometries, Stabilization Energies, and Luminescence Properties (link) , J. Su, K. Zhang, W. H. Eugen Schwarz, and J. Li, Inorganic Chemistry 50, 2082 (2011)
4. Monte Carlo approach for studying microphases applied to the axial next-nearest-neighbor Ising and the Ising-Coulomb models (link), K. Zhang and P. Charbonneau, Phys. Rev. B 83, 214303 (2011)
5. [N]pT Monte Carlo simulations of the cluster-crystal-forming penetrable sphere model (link), K. Zhang and P. Charbonneau, J. Chem. Phys. 136, 214106 (2012)
6. [N]pT ensemble and finite-size scaling study of the GEM-4 critical isostructural transition (link), K. Zhang and P. Charbonneau, Phys. Rev. E 86, 042501 (2012)
Since Yale
7. Computational studies of the glass-forming ability of model bulk metallic glasses (link), K. Zhang, M. Wang, S. Papanikolaou, Y. Liu, J. Schroers, M. D. Shattuck, C. S. O'Hern, J. Chem. Phys. 139, 124503 (2013)
8. Connection between the packing efficiency of binary hard spheres and the glass-forming ability of bulk metallic glasses (link), K. Zhang, W. W. Smith, M. Wang, Y. Liu, J. Schroers, M. D. Shattuck, C. S. O'Hern, Phys. Rev. E 90, 032311 (2014) selected as Kaleidoscope
9. The glass-forming ability of model metal-metalloid alloys (link), K. Zhang, Y. Liu, J. Schroers, M. D. Shattuck, C. S. O'Hern, J. Chem. Phys. 142, 104504 (2015), selected in the APS 2015 March meeting image gallery
10. Asymmetric crystallization during cooling and heating in model glass-forming systems (link), M. Wang, K. Zhang, Z. Li,Y. Liu, J. Schroers, M. D. Shattuck, C. S. O'Hern, Phys. Rev. E 91, 032309 (2015), selected as Kaleidoscope
11. On the origin of multi-component bulk metallic glasses: Atomic size mismatches and de-mixing (link), K. Zhang, B. Dice, Y. Liu, J. Schroers, M. D. Shattuck, C. S. O'Hern, J. Chem. Phys. 143, 054501 (2015), featured article of the issue
12. Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses (link), K. Zhang, M. Fan, Y. Liu, J. Schroers, M. D. Shattuck, C. S. O'Hern, J. Chem. Phys. 143, 184502 (2015)
13. Magnetic alignment of block copolymer microdomains by intrinsic chain anisotropy (link), Y. Rokhlenko, M. Gopinadhan, C. O. Osuji, K. Zhang, C. S. O’Hern, S. R. Larson, P. Gopalan, P. W. Majewski, and K. G. Yager, Phys. Rev. Lett. 115, 258302 (2015), featured in Physics
14. Equilibrium Phase Behavior of a Continuous-Space Microphase Former (link), Y. Zhuang, K. Zhang and P. Charbonneau, Phys. Rev. Lett. 116, 098301 (2016)
15. Effects of cooling rate on particle rearrangement statistics: Rapidly cooled glasses are more ductile and less reversible (link), M. Fan, M. Wang, K. Zhang, Y. Liu, J. Schroers, M. D. Shattuck, and C. S. O'Hern, Phys. Rev. E 95, 022611 (2017)
16. Stable small bubble clusters in two-dimensional foams (link), K. Zhang, C.-C. Kuo, N. See, C. S. O'Hern, and M. Dennin, Soft Matter 13, 4370 (2017)
Since Columbia
17. Molecular simulations of solute transport in polymer melts (link), K. Zhang and S. K. Kumar, ACS Macro Lett. 6, 864 (2017)
18. Particle rearrangement and softening contributions to the nonlinear mechanical response of glasses (link), M. Fan, K. Zhang, J. Schroers, M. D. Shattuck, and C. S. O'Hern, Phys. Rev. E 96, 032602 (2017)
19. Polymer-grafted nanoparticle membranes with controllable free-volume (link), C. Bilchak, E. Buenning, M. Asai, K. Zhang, C. Durning, S. K. Kumar, Y. Huang, B. Benicewicz, D. Gidley, S. Cheng, A. Sokolov, F. Doghieri, and M. Minelli, Macromolecules 50, 7111 (2017)
20. Coarse-Grained Molecular Dynamics Simulation of Activated Penetrant Transport in Glassy Polymers (link), K. Zhang, D. Meng, F. Mueller-Plathe and S. K. Kumar, Soft Matter 14, 440 (2018)
21. Size-Dependent Penetrant Diffusion in Polymer Glasses (link), D. Meng, K. Zhang and S. K. Kumar, Soft Matter 14, 4226 (2018)
22. Defining the optimal criterion for separating gases using polymeric membranes(link), K. Zhang and S. K. Kumar, Soft Matter 14, 9847 (2018)
23. Impact of Electrostatic Interactions on the Self-Assembly of Charge-Neutral Block Copolyelectrolytes (link), Sebastian T. Russell, Ramya Raghunathan, Andrew M. Jimenez, Kai Zhang, Spencer D. Brucks, Ciprian Iacob, Alan C. West, Oleg Gang, Luis M. Campos and Sanat K. Kumar, Macromolecules 53, 548 (2020)
Since DKU
24. Illustrating the Concepts of Entropy, Free Energy, and Thermodynamic Equilibrium with a Lattice Model (link), Kai Zhang, J. Chem. Educ. 97, 1903 (2020)
25. Glass formation in binary alloys with different atomic symmetries (link), Yuan-Chao Hu, Kai Zhang, Sebastian A. Kube, Jan Schroers, Mark D. Shattuck, and Corey S. O'Hern, Phys. Rev. Materials 4, 105602 (2020)
26. Unifying the concepts of scattering and structure factor in ordered and disordered samples (link), Dingning Li and Kai Zhang, J. Appl. Cryst. 54, 644-660 (2021)
27. Quantifying Nanoparticle Assembly States in a Polymer Matrix through Deep Learning (link), Eric Zhonghang Qu, Andrew Matthew Jimenez, Sanat K. Kumar and Kai Zhang, Macromolecules 54, 3034 (2021) dataset code
28. Size-Sieving Separation of Hard-Sphere Gases at Low Concentrations through Cylindrically Porous Membranes (link), Yue Yu and Kai Zhang, Soft Matter 17, 10025 (2021)
29. Free Energy Cost to Assemble Superlattices of Polymer-Grafted Nanoparticles (link), Dingning Li and Kai Zhang, Soft Matter 18, 640 (2022)
30. In Situ Atomic Force Microscopy Tracking of Nanoparticle Migration in Semicrystalline Polymers (link), Kamlesh Bornani, Nicholas F. Mendez, Abdullah S. Altorbaq, Alejandro J. Müller, Yueqian Lin, Eric Zhonghang Qu, Kai Zhang, Sanat K. Kumar, and Linda S. Schadler, ACS Macro Lett. 11, 818 (2022)
31. Potential enhancement in atmospheric new particle formation by amine-assisted nitric acid condensation at room temperature (link), Kuanfu Chen, Kai Zhang, and Chong Qiu, Atmospheric Environment 287, 119252 (2022)
32. Thermodynamics of the Ising Model Encoded in Restricted Boltzmann Machines (link), Jing Gu and Kai Zhang, Entropy 24, 1701 (2022)
Preprints (non-peer reviewed)
1. K. Zhang, On the Concept of Static Structure Factor, arXiv:1606.03610 (2016) (link)
2. K. Zhang, Analyzing Cell Phone Usage in China from the Microblogging Social Media Weibo, Github (2018) (link)
Ph.D. thesis
K. Zhang, Equilibrium and Non-equilibrium Monte Carlo Simulations of Microphases and Cluster Crystals, Duke University (2012) (link)