Lin, Lin - University of California, Berkeley

个人简介

Position Assistant Professor (Tenure track), Department of Mathematics, University of California, Berkeley, 2014--present Faculty Scientist, Computational Research Division, Lawrence Berkeley National Laboratory, 2014--present Research Scientist (Career Track), Computational Research Division, Lawrence Berkeley National Laboratory, 2013--2014 Luis W. Alvarez Postdoctoral Fellow, Computational Research Division, Lawrence Berkeley National Laboratory, 2011--2013 Education Ph.D. Applied Mathematics, Princeton University, 2011 Ph.D. Dissertation: Density functional theory and nuclear quantum effects [.pdf] B.S. Mathematics, Peking University, 2007

研究领域

My current research interest is to develop novel, efficient and reliable numerical algorithms and mathematical software tools for ground state and excited state electronic structure theories. I find this field particularly exciting because Scientifically, it is amazing that many (electronic, mechanical, optical) properties calculated from such first principle theories (i.e. the only input is atomic specicies and atomic positions. There is in principle no dependence on empirical or fitting parameters) can be directly compared to experimental results. Mathematically, the theories are relatively well defined. They also provide mathematical and computational challenges not commonly seen in other branches of applied mathematics. The complexity of electronic structure theories can range from high (like density functional theory) to very high (like configuration interaction), and hence numerical methods with reduced complexity are urgently needed in order to simulate ever larger relastic systems. This field had been active in physics and chemistry before computers even existed, and yet the field is still at its very early stage from the perspective of applied mathematics. In my view, "language barriers" are sometimes the biggest obstacle preventing mathematicians from understanding the problem. There is great potential for numerical analysis and numerical linear algebra tools to deeply impact this field.

近期论文

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L. Lin and M. Lindsey, Variational structure of Luttinger-Ward formalism and bold diagrammatic expansion for Euclidean lattice field theory, Proc. Natl. Acad. Sci. L. Lin and M. Lindsey, Convergence of adaptive compression methods for Hartree-Fock-like equations, Commun. Pure Appl. Math., in press K. Dong, W. Hu and L. Lin, Interpolative separable density fitting through centroidal Voronoi tessellation with applications to hybrid functional electronic structure calculations, J. Chem. Theory Comput. in press M. Jacquelin, L. Lin, W. Jia, Y. Zhao and C. Yang, A left-looking selected inversion algorithm and task parallelism on shared memory systems, HPC Asia 2018, in press M. Shao, F. da Jornada, L. Lin, C. Yang, J. Deslippe and S. G. Louie, A structure preserving Lanczos algorithm for computing the optical absorption spectrum, SIAM J. Matrix Anal., in press X. Li, L. Lin, J. Lu, PEXSI-$\Sigma$: A Green's function embedding method for Kohn-Sham density functional theory, Ann. Math. Sci. Appl. in press M. Jacquelin, L. Lin and C. Yang, PSelInv – A distributed memory parallel algorithm for selected inversion: the non-symmetric case, Parallel Comput. 74, 84, 2018 V. Wen-zhe Yu, F. Corsetti, A. Garcia, W. Huhn, M. Jacquelin, W. Jia, B. Lange, L. Lin, J. Lu, W. Mi, A. Seifitokaldani, A. Vazquez-Mayagoitia, C. Yang, H. Yang and V. Blum, ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers, Commun. Phys. Comput. 222, 267, 2018 W. Hu, L. Lin, R. Zhang, C. Yang and J. Yang, Highly efficient photocatalytic water splitting over edge-modified phosphorene nanoribbons, J. Amer. Chem. Soc. 139, 15429, 2017 W. Hu, L. Lin and C. Yang, Interpolative separable density fitting decomposition for accelerating hybrid density functional calculations with applications to defects in silicon, J. Chem. Theory Comput. 13, 5420, 2017 W. Hu, L. Lin and C. Yang, Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations, J. Chem. Theory Comput. 13, 5458, 2017 A. Damle, L. Lin and L. Ying, Accelerating selected columns of the density matrix computations via approximate column selection, SIAM J. Sci. Comput. 39, 1178, 2017 W. Jia and L. Lin, Robust Determination of the Chemical Potential in the Pole Expansion and Selected Inversion Method for Solving Kohn-Sham density functional theory, J. Chem. Phys. 147, 144107, 2017 L. Lin and B. Stamm, A posteriori error estimates for discontinuous Galerkin methods using non-polynomial basis functions. Part II: Eigenvalue problems, Math. Model. Numer. Anal. 51, 1733, 2017 L. Lin, Localized spectrum slicing, Math. Comp. 86, 2345, 2017 L. Lin, Randomized estimation of spectral densities of large matrices made accurate, Numer. Math. 136, 183, 2017 W. Hu, L. Lin, A. Banerjee, E. Vecharynski and C. Yang, Adaptively compressed exchange operator for large scale hybrid density functional calculations with applications to the adsorption of water on silicene, J. Chem. Theory Comput. 13, 1188, 2017 L. Lin, Z. Xu and L. Ying, Adaptively compressed polarizability operator for accelerating large scale ab initio phonon calculations, Multiscale Model. Simul. 15, 29, 2017 A. Damle, L. Lin and L. Ying, SCDM-k: Localized orbitals for solids via selected columns of the density matrix, J. Comput. Phys. 334, 1, 2017 G. Zhang, L. Lin, W. Hu, C. Yang and J.E. Pask, Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations, J. Comput. Phys. 335, 426 2017