People

Tianyuan
(Sam)
Zhang
Postdoctoral Researcher

[email protected]
385 Bagley Hall Department of Chemistry
University of Washington
,


Education


Awards

  • 2014
    Dalian Institute of Chemical Physics Scholarship Chinese Academy of Sciences
  • 2013
    Distinguished Award in Group of Innovation National University Chemical Video Contest by AICM[1] and CCS[2]
  • 2009
    Provincial first prize Chinese National High School Mathematics League
  • 2009
    Provincial first prize Chinese Chemistry Olympiad


Publications

  1. Two-Component Relativistic Equation-of-Motion Coupled Cluster for Electron Ionization
    Stephen H. Yuwono; Run R. Li; Tianyuan Zhang; Xiaosong Li; A. Eugene DePrince, III
    The Journal of Chemical Physics2025, 162, 084110
  2. Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
    Tianyuan Zhang, Samragni Banerjee, Lauren N. Koulias, Edward F. Valeev, A. Eugene DePrince III, and Xiaosong Li
    The Journal of Physical Chemistry A2024, 128, 17, 3408-3418
  3. Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
    Stephen H. Yuwono, Run R. Li, Tianyuan Zhang, Kshitijkumar A. Surjuse, Edward F. Valeev, Xiaosong Li, A. Eugene DePrince III*
    The Journal of Physical Chemistry A2024, 128, 31, 6521-6539
  4. State Interaction for Relativistic Four-Component Methods: Choose the Right Zeroth-Order Hamiltonian for Late-Row Elements
    Chad E. Hoyer, Can Liao, Kirill D. Shumilov, Tianyuan Zhang, Xiaosong Li
    Journal of Chemical Theory and Computation2024, 20, 18, 7969-7978
  5. Small Tensor Product Distributed Active Space (STP-DAS) Framework for Relativistic and Non-relativistic Multiconfiguration Calculations: Scaling from 109 on a Laptop to 1012 Determinants on a Supercomputer
    Hang Hu, Shiv Upadhyay, Lixin Lu, Andrew J. Jenkins, Tianyuan Zhang, Agam Shayit, Stefan Knecht, Xiaosong Li
    Chemical Physics Reviews2024, 5, 4, 041404
  6. Scalar Breit Interaction for Molecular Calculations
    Shichao Sun, Jordan Ehrman, Tianyuan Zhang, Qiming Sun, Kenneth G. Dyall, Xiaosong Li
    Journal of Chemical Physics2023, 158, 171101
  7. Time-Dependent Equation-of-Motion Coupled-Cluster Simulations with a Defective Hamiltonian
    Stephen H. Yuwono, Brandon C. Cooper, Tianyuan Zhang, Xiaosong Li, and A. Eugene DePrince III
    Journal of Chemical Physics2023, 159, 044113
  8. Multicomponent Cholesky Decomposition: Application to Nuclear–Electronic Orbital Theory
    Aodong Liu, Tianyuan Zhang, Sharon Hammes-Schiffer, and Xiaosong Li
    Journal of Chemical Theory and Computation2023, 19, 18, 6255-6262
  9. Relativistic Resolution-of-the-Identity with Cholesky Integral Decomposition
    Samragni Banerjee,Tianyuan Zhang, Kenneth G. Dyall, Xiaosong Li
    Journal of Chemical Physics2023, 159, 111149
  10. Toward the Minimal Floating Operation Count Cholesky Decomposition of Electron Repulsion Integrals
    Tianyuan Zhang, Xiaolin Liu, Edward F. Valeev, and Xiaosong Li
    Journal of Physical Chemistry A2021, 125, 4258-4265
  11. Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation
    Sun, Shichao and Stetina, Torin F. and Zhang, Tianyuan and Hu, Hang and Valeev, Edward F. and Sun, Qiming and Li, Xiaosong
    Journal of Chemical Theory and Computation2021, 17, 3388-3402
  12. Chapter 10 - On the Finite Nuclear Effect and Gaussian Basis Set for Four-Component Dirac Hartree-Fock Calculations
    Shichao Sun, Torin F. Stetina, Tianyuan Zhang, and Xiaosong Li
    Rare Earth Elements and Actinides: Progress in Computational Science Applications2021, 1388, 207-218
  13. Localized Relativistic Two-Component Methods for Ground and Excited State Calculations
    Tianyuan Zhang, Joseph M. Kasper, Xiaosong Li
    Annual Reports in Computational Chemistry2020, 16, 17-37