USC.edu

Kaushik Nanda

Research Associate
Email kaushikdnanda@gmail.com Office SGM 418 Office Phone (213) 740-0893

Education

  • Ph.D. Chemistry, University of California, Riverside, 2013
  • M.S. (5-year Integrated) Chemistry, Indian Institute of Technology, Bombay, 2007
    • Reasearch Associate, University of Southern California, 2013

  • Research Keywords

    Nonlinear properties, equation-of-motion coupled-cluster methods, fragment-based QM/MM methods such as HMBI and QM/EFP, open-shell and photochromic systems, GPGPU implementations for electronic structure

  • Book Chapter

    • Beran, G., Wen, S., Nanda, K., Huang, Y., Heit, Y. . (2014). Accurate molecular crystal modeling with fragment-based electronic structure methods in Prediction and Calculation of Crystal Structures: Methods and Applications edited by A. Aspuru-Guzik, and S. Atahan-Evrenk, Springer, 59.

    Book Review

    • Beran, G., Wen, S., Nanda, K., Huang, Y., Heit, Y. . (2014). Accurate molecular crystal modeling with fragment-based electronic structure methods in Prediction and Calculation of Crystal Structures: Methods and Applications edited by A. Aspuru-Guzik, and S. Atahan-Evrenk, Springer, 59.

    Journal Article

    • Nanda, K., Krylov, A., Gauss, J. . (2018). The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory J. Chem. Phys. 149, 141101.
    • Nanda, K., Krylov, A. . The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach J. Chem. Phys., in press.
    • Nanda, K., Krylov, A. . (2017). Visualizing the contributions of virtual states to two-photon absorption cross- sections by natural transition orbitals of response transition density matrices J. Phys. Chem. Lett. 8, 3256.
    • Nanda, K., Krylov, A. . (2017). Effect of the diradical character on static polarizabilities and two-photon absorption cross-sections: A closer look with spin-flip equation-of-motion coupled-cluster singles and doubles method J. Chem. Phys. 146, 224103.
    • Nanda, K., Krylov, A. . (2016). Static polarizabilities for excited states within the spin-conserving and spin- flipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks J. Chem. Phys. 145, 204116.
    • Heit, Y., Nanda, K., Beran, G. . (2016). Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy Chem. Sci. 7, 246.
    • Nanda, K., Krylov, A. . (2015). Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks J. Chem. Phys. 142, 064118.
    • Nanda, K., Beran, G. . (2013). What governs the proton-ordering in ice XV? J. Phys. Chem. Lett. 4, 3165.
    • Nanda, K., Beran, G. D. (2012). Prediction of organic molecular crystal geometries from MP2-level fragment quantum mechanical/molecular mechanical calculations J. Chem. Phys. 137, 174106.
    • Wen, S., Nanda, K., Huang, Y., Beran, G. . (2012). Practical quantum mechanics-based fragment methods for predicting molecular crystal properties Phys. Chem. Chem. Phys. 14, 7578.
    • Gillis, E., Demireva, M., Nanda, K., Beran, G., Williams, E., Fridgen, T. . (2012). Structures and energetics of electrosprayed uracil_n Ca2+ clusters (n=14-4) in the gas phase Phys. Chem. Chem. Phys. 14, 3304.
    • Beran, G., Nanda, K. . (2010). Predicting organic crystal lattice energies with chemical accuracy J. Phys. Chem. Lett. 1, 3480.