研究领域

Development of new techniques for electronic structure theory using approaches that bridge quantum chemistry/condensed matter/and quantum information.

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.

近期论文

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Yang, J.; Hu, W.; Usvyat, D.; Matthews, D.; Schuetz, M.; Chan, G. K.-L., "Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy." Science 2014, 345 (6197), 640-643. Sharma, S.; Yanai, T.; Booth, G. H.; Umrigar, C. J.; Chan, G. K.-L., "Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer." Journal of Chemical Physics 2014, 140 (10). Nakatani, N.; Wouters, S.; Van Neck, D.; Chan, G. K.-L., "Linear response theory for the density matrix renormalization group: Efficient algorithms for strongly correlated excited states." Journal of Chemical Physics 2014, 140 (2). Wouters, S.; Verstichel, B.; Van Neck, D.; Chan, G. K.-L., "Projector quantum Monte Carlo with matrix product states." Physical Review B 2014, 90 (4). Chen, Q.; Booth, G. H.; Sharma, S.; Knizia, G.; Chan, G. K.-L., "Intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model." Physical Review B 2014, 89 (16). Nakatani, N.; Chan, G. K.-L., "Efficient tree tensor network states (TTNS) for quantum chemistry: Generalizations of the density matrix renormalization group algorithm." Journal of Chemical Physics 2013, 138 (13). Schuetz, M.; Yang, J.; Chan, G. K.-L.; Manby, F. R.; Werner, H.-J., "The orbital-specific virtual local triples correction: OSV-L(T)." Journal of Chemical Physics 2013, 138 (5). Clark, B. K.; Kinder, J. M.; Neuscamman, E.; Chan, G. K.-L.; Lawler, M. J., "Striped Spin Liquid Crystal Ground State Instability of Kagome Antiferromagnets." Physical Review Letters 2013, 111 (18). Wouters, S.; Nakatani, N.; Van Neck, D.; Chan, G. K.-L., "Thouless theorem for matrix product states and subsequent post density matrix renormalization group methods." Physical Review B 2013, 88 (7). Knizia, G.; Chan, G. K.-L., Density Matrix Embedding: "A Strong-Coupling Quantum Embedding Theory." Journal of Chemical Theory and Computation 2013, 9 (3), 1428-1432. Kurashige, Y.; Chan, G. K.-L.; Yanai, T., "Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II." Nature Chemistry 2013, 5 (8), 660-666. Booth, G. H.; Chan, G. K.-L., "Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo." Journal of Chemical Physics 2012, 137 (19). Yang, J.; Chan, G. K.-L.; Manby, F. R.; Schuetz, M.; Werner, H.-J., "The orbital-specific-virtual local coupled cluster singles and doubles method." Journal of Chemical Physics 2012, 136 (14). Sharma, S.; Chan, G. K.-L., "Spin-adapted density matrix renormalization group algorithms for quantum chemistry." Journal of Chemical Physics 2012, 136 (12). Kurashige, Y.; Yang, J.; Chan, G. K. L.; Manby, F. R., "Optimization of orbital-specific virtuals in local Moller-Plesset perturbation theory." Journal of Chemical Physics 2012, 136 (12). Knizia, G.; Chan, G. K.-L., Density Matrix Embedding: "A Simple Alternative to Dynamical Mean-Field Theory." Physical Review Letters 2012, 109 (18). Zgid, D.; Gull, E.; Chan, G. K.-L., "Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory." Physical Review B 2012, 86 (16). Neuscamman, E.; Chan, G. K.-L., "Correlator product state study of molecular magnetism in the giant Keplerate Mo72Fe30." Physical Review B 2012, 86 (6). Yanai, T.; Kurashige, Y.; Neuscamman, E.; Chan, G. K.-L., "Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition." Physical Chemistry Chemical Physics 2012, 14 (21), 7809-7820. Watson, M. A.; Chan, G. K.-L., "Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment." Journal of Chemical Theory and Computation 2012, 8 (11), 4013-4018.