People

Wenkel
Liang
Alumni, Graduate Student
Currently: Senior Associate, KPMG Irvine – Data & Analytics Solutions Center

Wenkel Liang portrait


Publications

  1. Solvent Effects on Intramolecular Charge Transfer Dynamics in a Fullerene Derivative
    C. T. Chapman, W. Liang, X. Li
    J. Phys. Chem. A2013, 117, 2687
  2. Solvated First-principles Excited State Charge Transfer Dynamics with Time-Dependent Polarizable Continuum Model and Solvent Dielectric Relaxation
    P. D. Nguyen, F. Ding, S. A. Fischer, W. Liang, X. Li
    J. Phys. Chem. Lett.2012, 3, 2898
  3. Mechanisms of Bridge-mediated Electron Transfer: A TDDFT Electronic Dynamics Study
    F. Ding, C. T. Chapman, W. Liang, X. Li
    J. Chem. Phys.2012, 137, 22A512
  4. Theoretical Evaluation of Spin-Dependent Auger De-Excitation in Mn2+-Doped Semiconductor Nanocrystals
    B. Peng, W. Liang, M. A. White, D. R. Gamelin, X. Li
    J. Phys. Chem. C2012, 116, 11223
  5. Modeling Ultrafast Solvated Electronic Dynamics using Time-Dependent Density Functional Theory and Polarizable Continuum Model
    W. Liang, C. T. Chapman, F. Ding, X. Li
    J. Phys. Chem. A2012, 116, 1884
  6. The Early Life of a Peptide Cation-Radical
    C. L. Moss, W. Liang, X. Li, F. Tureček
    J. Am. Soc. Mass Spectrom.2012, 23, 446
  7. Ultrafast Coherent Electron-hole Separation Dynamics in a Fullerene Derivative
    C. T. Chapman, W. Liang, X. Li
    J. Phys. Chem. Lett.2011, 2, 1189
  8. Open-system Electronic Dynamics and Thermalized Electronic Structure
    C. T. Chapman, W. Liang, X. Li
    J. Chem. Phys.2011, 134, 24118
  9. Dielectric Dependence of the First Molecular Hyperpolarizability for Electro-Optic Chromophores
    D. H. Bale, B. E. Eichinger, W. Liang, X. Li, L. R. Dalton, B. H. Robinson, and P. J. Reid
    J. Phys. Chem. B2011, 115, 3505
  10. Efficient First-Principles Electronic Dynamics
    W. Liang, C. T. Chapman, X. Li
    J. Chem. Phys.2011, 134, 184102
  11. Solvents Level Dipole Moments
    W. Liang, X. Li, L. R. Dalton, B. H. Robinson, B. E. Eichinger
    J. Phys. Chem. B2011, 115, 12566
  12. Energy-specific linear response TDHF/TDDFT for calculating high-energy excited states
    W. Liang, S. A. Fischer, M. J. Frisch, X. Li
    J. Chem. Theory Comput.2011, 7, 3540
  13. On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham
    F. Ding, W. Liang, C. T. Chapman, C. M. Isborn, X. Li
    J. Chem. Phys.2011, 135, 164101
  14. Geometry Optimization with Multilayer Methods Using Least-Squares Minimization
    W. Liang, C. T. Chapman, M. J. Frisch, X. Li
    J. Chem. Theory Comput.2010, 6, 3352
  15. Rational Design using Dewar’s Rules for Enhancing the First Hyperpolarizability of Nonlinear Optical Chromophores
    J. Hung, W. Liang, J. Luo, Z. Shi, A. K.-Y. Jen, X. Li.
    J. Phys. Chem. C2010, 114, 22284
  16. Eigenspace Update for Molecular Geometry Optimization in Nonredundant Internal Coordinate
    W. Liang, H. Wang, J. Hung, X. Li, M. J. Frisch
    J. Chem. Theory Comput.2010, 6, 2034
  17. Tuning the Kinetics and Energetics of Diels-Alder Cycloaddition Reactions to Improve Poling Efficiency and Thermal Stability of High Temperature Crosslinked Electro-Optic Polymers
    Z. Shi, W. Liang, J. Luo, S. Huang, B. Polishak, X. Li, T. Younkin, B. Block, A. Jen
    Chem. Mater.2010, 22, 5601
  18. Time-dependent Density Functional Theory Ehrenfest Dynamics Studies of Laser controlled Dissociation of NO+: Multiphoton Excitation and Laser Pulse Length
    W. Liang, C. M. Isborn, A. Lindsay, X. Li, S. M. Smith, R. J. Levis
    J. Phys. Chem. A2010, 114, 6201
  19. Obtaining Hartree-Fock and Density Functional Theory Doubly Excited States with Car-Parrinello Density Matrix Search
    W. Liang, C. M. Isborn, X. Li
    J. Chem. Phys.2009, 131, 204101
  20. Car-Parrinello density matrix search with a first principles fictitious electron mass method for electronic wave function optimization
    X. Li, C. L. Moss, W. Liang, Y. Feng
    J. Chem. Phys.2009, 130, 234115
  21. Laser controlled dissociation of C2H22+: Ehrenfest dynamics using time-dependent density functional theory
    W. Liang, C. M. Isborn, X. Li
    J. Phys. Chem. A2009, 113, 3463