Deyu Lu

Deyu Lu



Contact information

Chem 190, UC Davis, One Shields Avenue, Davis, CA, 95616

email: dylu at ucdavis.edu

phone: (530) 754-9663



Education

Ph.D. in physics, University of Illinois at Urbana-Champaign, December 2005

M.S. in physics, Institute of Semiconductors, CAS, June 2000.

B.S. in physics, Tsinghua University, June 1997



Research

My research interest is to develop new methods and algorithms under the frameworks of many-body perturbation theory and time-dependent density functional theory (TDDFT) to study excited state properties of materials. My research topics include:

1. Characterization and approximations of the microscopic dielectric response of materials and nanostructures.

2. Method development to compute static and dynamic dielectric response from linear response theory.

3. Method development to include excitonic effects in TDDFT.

4. RPA correlation energy calculation based on the dielectric eigenmodes.



Publications

  1. Hugh F. Wilson, Deyu Lu, Francois Gygi and Giulia Galli, "Iterative calculations of dielectric eigenvalue spectra", Phys. Rev. B, 79, 245106 (2009).

  2. Deyu Lu, Yan Li, Dario Rocca and Giulia Galli, "Ab initio calculation of van der Waals bonded molecular crystals", Phys. Rev. Lett, 102, 206411 (2009).

  3. Yan Li, Deyu Lu and Giulia Galli, "Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111)", J. Chem. Theory Comput., 5, 881, 2009.

  4. "Dielectric properties of ice and liquid water from first principle calculations", Deyu Lu, Francois Gygi and Giulia Galli, Phys. Rev. Lett., 100, 147601, 2008.

  5. Yan Li, Deyu Lu, Sally A. Swanson, J. Campbell Scott and Giulia Galli "Microscopic Characterization of the Interface between Aromatic Isocyanides and Au(111): a First-Principles Investigation", J. Phys. Chem. C, 112, 6413–6421, 2008.

  6. The role of molecular modeling in bionanotechnology, Deyu Lu, Aleksei Aksimentiev, Amy Y. Shih, Eduardo Cruz-Chu, Peter L. Freddolino, Anton Arkhipov, and Klaus Schulten, Phys. Biol., 3:S40-S53, 2006.

  7. Ion-nanotube terahertz oscillator, Deyu Lu, Yan Li, Umberto Ravaioli, and Klaus Schulten. Phys. Rev. Lett., 95:246801, 2005.

  8. Empirical nanotube model for biological applications, Deyu Lu, Yan Li, Umberto Ravaioli, and Klaus Schulten, J. Phys. Chem. B, 109:11461-11467, 2005.

  9. Screening of water dipoles inside finite-length armchair carbon nanotubes, Yan Li, Deyu Lu, Slava V. Rotkin, Klaus Schulten, and Umberto Ravaioli, Journal of Computational Electronics, 4:161-165, 2005.

  10. Finite-size effect and wall polarization in a carbon nanotube channel, Deyu Lu, Yan Li, Slava V. Rotkin, Umberto Ravaioli, and Klaus Schulten, Nano Letters, 4:2383-2387, 2004.

  11. Electronic structure and dielectric behavior of finite-length single-walled carbon nanotubes, Yan Li, Deyu Lu, Slava V. Rotkin, Umberto Ravaioli, and Klaus Schulten, Proceedings of the Fourth IEEE Conference on Nanotechnology, Munich, Germany, 373-375, 2004.

  12. Excitation migration in trimeric cyanobacterial photosystem I, Melih Sener, Sanghyun Park, Deyu Lu, Ana Damjanovic, Thorsten Ritz, Petra Fromme and Klaus Schulten, Journal of Chemical Physics, 120:11183-11195, 2004.

  13. Glycerol conductance and physical asymmetry of the Escherichia coli glycerol facilitator GlpF, Deyu Lu, Paul Grayson, and Klaus Schulten, Biophysical Journal, 85:2977-2987, 2003.

  14. Reaction paths based on mean first-passage times, Sanghyun Park, Melih Sener, Deyu Lu, and Klaus Schulten, Journal of Chemical Physics, 119:1313-1319, 2003.

  15. Robustness and optimality of light harvesting in cyanobacterial photosystem I, Melih Sener, Deyu Lu, Thorsten Ritz, Sanghyun Park, Petra Fromme and Klaus Schulten, Journal of Physical Chemistry B,106: 7948-7960, 2002.

  16. Phonon modes in InAs quantum dots, Shang-Fen Ren, Deyu Lu, G. Qin, Physical Review B, 63:195315, 2001.

  17. Optical-phonon modes and Frohlich potential in quantum dot, Deyu Lu, Bang-fen Zhu, Solid StateCommunications, 115:313-317, 2000.

  18. Quantum confinement of phonon modes in GaAs quantum dots, Shang-Fen Ren, Zong-Quan Gu, Deyu Lu, Solid State Communications, 113:273-277, 1999.