## Garnet Chan

### Research Focus

Garnet K.-L. Chan is currently the Hepburn Professor of Theoretical Chemistry in the Department of Chemistry, Princeton University. He is also an associated faculty member of the Physics department, and a faculty fellow of the Princeton Center for Theoretical Science. Prior to his appointment at Princeton, he was an Associate Professor of Chemistry and Chemical Biology at Cornell University. He has received a number of awards including the William O. Baker Award of the National Academy of Sciences, the ACS Award in Pure Chemistry, the Medal of the International Academy of Quantum Molecular Science, the Camille Dreyfus Teacher-Scholar award, the Alfred P. Sloan and David and Lucile Packard fellowships, and the NSF CAREER award.

His research lies at the interface of theoretical chemistry, condensed matter physics, and quantum information theory, and is concerned with the phenomena and numerical methods associated with quantum many-particle systems. Some current systems of interest include metalloenzymes and biological catalysts, transition metal oxides and superconductivity, and organic molecular crystals and light harvesting. He has contributed to a wide range of quantum simulation methods, including density matrix renormalization and tensor network algorithms for real materials, downfolding through canonical transformations, local quantum chemistry methods, quantum embeddings including dynamical mean-field theory and density matrix embedding theory, and new quantum Monte Carlo techniques.

### Selected Recent Publications

- J. Yang, W. Hu, D. Matthews, D. Usvyat, M. Schuetz, G. K.-L. Chan, "Nailing down the benzene crystal", submitted (2014)
- S. Wouters, B. Verstichel, D. Van Neck, G. K.-L. Chan, "Projector Quantum Monte Carlo with Matrix Product States", arXiv:1403.3125, submitted (2014)
- S. Sharma, K. Sivalingam, F. Neese, and G. K.-L. Chan, "Realizing the spectroscopy of iron-sulfur clusters directly from many-particle quantum mechanics",
*Nature Chemistry*, under revision (2014) - Y. Kurashige, G. K.-L. Chan, T. Yanai, "Entangled quantum electronic wavefunctions of the Mn
_{4}CaO_{5}cluster in photosystem II",*Nature Chemistry*, doi:10.1038/nchem.1677 (2013) - G. Knizia, G. K.-L. Chan, "Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory",
*Phys. Rev. Lett.*,**109**, 186404 (2012) - D. Zgid and G. K.-L. Chan, "Dynamical mean-field theory from a quantum chemical perspective",
*J. Chem. Phys.*,**134**, 094115 (2011) - D. Joh, J. Kinder, L. H. Herman, S.-Y. Ju, M. A. Segal, J. N. Johnson, G. K.-L. Chan, and J. Park, "Single-Walled Carbon Nanotubes as Excitonic Optical Wires",
*Nature Nanotechnology*,**6**, 51 (2011) - J. Yang, Y. Kurashige, F. Manby, and G. K.-L. Chan, "Tensor factorizations of local second-order Moller-Plesset theory",
*J. Chem. Phys*,**134**, 044123 (2011) - J. J. Parks, A. R. Champagne, T. A. Costi, W. W. Shum, A. N. Pasupathy, E. Neuscamman, S. Flores-Torres, P. S. Cornaglia, A. A. Aliglia, C. A. Balseiro, G. K.-L. Chan, H. D. Abruna, and D. C. Ralph, "Mechanical Control of Spin-States in Spin-1 Molecules and the Underscreened Kondo effect",
*Science*,**328**, 5984 (2010) - T. Yanai, Y. Kurashige, E. Neuscamman, and G. K.-L. Chan, "Joint density matrix renormalization group and canonical transformation theory for multireference electronic structure",
*J. Chem. Phys.,***132**, 024105 (2010) - J. Hachmann, J. Dorando, M. Aviles, and G. K.-L. Chan, "The radical character of the acenes: A Density Matrix Renormalization Group Study",
*J. Chem. Phys.,***127**, 134309 (2007) - T. Yanai and G. K-L. Chan, "Canonical Transformation Theory for Multireference problems",
*J. Chem. Phys.*,**124**, 194106 (2006) - G. K.-L. Chan and R. Finken, "Time-dependent density functional theory of classical fluids",
*Ph**ys. Rev. Lett.*,**94**, 183001 (2005) - G. K-L. Chan and M. Head-Gordon, "Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group", J. Chem. Phys. 116, 4462 (2002)
- G. K-L. Chan and N. C. Handy, "Optimized Lieb-Oxford bound for the exchange-correlation energy",
*Phys. Rev. A***59**, 3075 (1999)