Publications

Graduate Research:

[1] N. Ricke, M. Welborn, H.-Z. Ye, T. Van Voorhis*, “Performance of Bootstrap Embedding for long-range interactions and 2D systems”, Mol. Phys. 115, 2017: 2242 — 2253. (link)

[2] H.-Z. Ye, M. Welborn, N. Ricke, T. Van Voorhis*, “σ-SCF: A Direct energy-targeting method to mean-field excited states“, J. Chem. Phys. 147, 2017: 214104. (link)

[3] M. J. MacLeod, A. J. Goodman, H.-Z. Ye, H. V.-T. Nguyen, T. Van Voorhis, and J. A. Johnson*, “Exceptionally Robust Gold Nanorods with Bidentate NHC-thiolate Ligand“, accepted by Nat. Chem.

[4] H.-Z. Ye, M. Welborn, N. Ricke, T. Van Voorhis*, “Incremental Embedding: A density matrix embedding scheme for molecules”, submitted to J. Chem. Phys.

[5] N. M. Gallagher, S. Feng, H.-Z. Ye, T. Van Voorhis, Y. Shao-Horn, J. A. Johnson*, “N-Heterocyclic Carbene Heteroallene Adducts: Zwitterions or Diradicaloids?”, manuscript in preparation.

[6] H.-Z. Ye, and T. Van Voorhis*. “Half-projected σ-SCF for electronic excited states”. manuscript in preparation.

Undergraduate Research:

[1] H.-Z. Ye, C. Sun and H. Jiang*, “Monte-Carlo simulations of spin-crossover phenomena based on a vibronic Ising-like model with realistic parameters”, Phys. Chem. Chem. Phys. 17, 2015: 6801 — 6808. (link)