6. Arthur Adamson Postdoctoral Recognition Award, University of Southern California
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1 Kaushik D. Nanda Address: SSC-401C, University of Southern California, Los Angeles, CA Phone: (Cell) EDUCATION AND DEGREES Ph.D. in Chemistry (2013) Department of Chemistry, University of California, Riverside, CA, USA. Research Advisor: Prof. Gregory J. O. Beran Thesis: Fragment-based QM/MM method for modeling molecular crystals and clusters GPA: 4.0/4.0 5-Year Integrated M.S. in Chemistry (2007) Department of Chemistry, Indian Institute of Technology, Bombay, India. Thesis Advisor: Prof. Raghavan B. Sunoj Thesis: Stereoselective organocatalyzed asymmetric Aldol reactions catalyzed by bicyclic bifunctional proline analogues: A QM/MM approach GPA: 8.48/10.00 (Department Rank: 1 st ) PROFESSIONAL EXPERIENCE Postdoctoral Research Associate in Chemistry (2013-present) Department of Chemistry, University of Southern California, Los Angeles, CA, USA. Research Advisor: Prof. Anna I. Krylov TEACHING EXPERIENCE Postdoctoral Burg Teaching Awardee (January-May, 2016) Department of Chemistry, University of Southern California, Los Angeles, CA, USA. 1. Co-taught general chemistry Chem-105B course as part of mentored teaching. Teaching Assistant in Chemistry ( ) Department of Chemistry, University of California, Riverside, CA, USA. 1. Led 7 quarters of discussions in general chemistry. 2. Led 4 quarters of labs in general chemistry. 3. Led 2 quarters of labs in organic chemistry. AWARDS AND HONORS 8. Travel grant for Conference on Excited State Processes (2018). 7. Runner-up in the Gerhard Closs Postdoctoral Award at I-APS winter conference (2018). 6. Arthur Adamson Postdoctoral Recognition Award, University of Southern California (2017). 5. Postdoctoral Burg Teaching Award, University of Southern California (2016).
2 Kaushik D. Nanda Page 2 4. Finalist in NVIDIA GPU Award for Best GPU Poster at 249 th ACS National Meeting Exposition, (2015). 3. Travel grant for Conference on Excited State Processes (2014). 2. Dean s Distinguished Fellowship Award, University of California, Riverside ( ). 1. Institute Silver Medal for ranking first in the Department of Chemistry, Indian Institute of Technology, Bombay (2007). PUBLICATIONS 13. The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory, K. Nanda, A. Krylov, and J. Gauss, J. Chem. Phys., submitted. (Preprint: 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, K. Nanda, and A. Krylov, J. Chem. Phys., submitted. (Preprint: Visualizing the contributions of virtual states to two-photon absorption crosssections by natural transition orbitals of response transition density matrices, K. Nanda, and A. Krylov, J. Phys. Chem. Lett. 8, 3256 (2017). (ACS liveslides available at DOI: /acs.jpclett.7b01422) 10. 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, K. Nanda, and A. Krylov, J. Chem. Phys. 146, (2017). 9. Static polarizabilities for excited states within the spin-conserving and spinflipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks, K. Nanda, and A. Krylov, J. Chem. Phys. 145, (2016). 8. Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy, Y. Heit, K. Nanda, and G. Beran, Chem. Sci. 7, 246 (2016). 7. 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, K. Nanda, and A. Krylov, J. Chem. Phys. 142, (2015). 6. Accurate molecular crystal modeling with fragment-based electronic structure methods, G. Beran, S. Wen, K. Nanda, Y. Huang, and Y. Heit, in Prediction and Calculation of Crystal Structures: Methods and Applications edited by A. Aspuru-Guzik, and S. Atahan-Evrenk, Springer, 59 (2014). 5. What governs the proton-ordering in ice XV?, K. Nanda, and G. Beran, J. Phys. Chem. Lett. 4, 3165 (2013).
3 Kaushik D. Nanda Page 3 4. Prediction of organic molecular crystal geometries from MP2-level fragment quantum mechanical/molecular mechanical calculations, K. Nanda, and G. Beran, J. Chem. Phys. 137, (2012). 3. Practical quantum mechanics-based fragment methods for predicting molecular crystal properties, S. Wen, K. Nanda, Y. Huang, and G. Beran, Phys. Chem. Chem. Phys. 14, 7578 (2012). 2. Structures and energetics of electrosprayed uracil n Ca 2+ clusters (n=14-4) in the gas phase, E. Gillis, M. Demireva, K. Nanda, G. Beran, E. Williams, and T. Fridgen, Phys. Chem. Chem. Phys. 14, 3304 (2012). 1. Predicting organic crystal lattice energies with chemical accuracy, G. Beran, and K. Nanda, J. Phys. Chem. Lett. 1, 3480 (2010). CONFERENCE TALKS/POSTERS 27. New theoretical tool for modeling and analyzing two-photon absorption processes (Poster), K. Nanda and A. Krylov, Excited State Processes in Electronic and Bio Nanomaterials Conference (2018). 26. New theoretical tool for modeling and analyzing two-photon absorption processes (Talk), K. Nanda and A. Krylov, 58 th Sanibel Symposium (2018). 25. New theoretical tool for modeling and analyzing two-photon absorption processes (Poster), K. Nanda and A. Krylov, Inter-American Photochemical Society Winter Conference (2018). 24. New theoretical tools for analyzing two-photon absorption cross-sections (Invited Talk), K. Nanda and A. Krylov, Telluride Science Research Center Meeting on New Developments in Coupled-Cluster Theory (2017). 23. New theoretical tools for modeling nonlinear optical properties in closed- and open-shell systems (Poster), K. Nanda and A. Krylov, Gordon Research Conference on Photochemistry (2017). 22. New theoretical tools for modeling nonlinear optical properties in closed- and open-shell systems (Poster), K. Nanda and A. Krylov, Gordon Research Seminar on Photochemistry (2017). 21. New theoretical tools for modeling nonlinear optical properties in closed- and open-shell systems (Talk), K. Nanda and A. Krylov, International Conference on Photochemistry (2017). 20. Nonlinear optical properties of closed- and open-shell species with EOM-CCSD (Poster), K. Nanda and A. Krylov, SoCal TheoChem 2.0 (2017). 19. EOM-CCSD implementations for response properties in Q-Chem, (Poster), K. Nanda, and A. Krylov, MolSSI Workshop on Core Software Blocks in Quantum Chemistry (2017). 18. Calculating nonlinear optical properties of closed- and open-shell species: Theory and examples, (Talk), K. Nanda, and A. Krylov, The 64 th Pacific Conference on Spectroscopy and Dynamics (2017). 17. Calculating nonlinear optical properties of closed- and open-shell species: Theory and examples, (Poster), K. Nanda, and A. Krylov, The 64 th Pacific Conference on Spectroscopy and Dynamics (2017).
4 Kaushik D. Nanda Page Calculating nonlinear optical properties of closed- and open-shell species with EOM-CCSD: Theory and examples, (Poster), K. Nanda, and A. Krylov, International Society for Theoretical Chemical Physics IX Conference (2016). 15. Calculating nonlinear properties of closed- and open-shell species with EOM- CCSD: Theory and examples, (Talk), K. Nanda, and A. Krylov, 251 st ACS National Meeting & Exposition (2016). 14. Nonlinear properties with EOM-CCSD: Expectation-value vs. full-response approach, (Talk), K. Nanda, and A. Krylov, 251 st ACS National Meeting & Exposition (2016). 13. Nonlinear properties of chromophores in solution using equation-of-motion coupled cluster (EOM-CC) and effective fragment potential (EFP): A QM/MM approach, (Poster), K. Nanda, and A. Krylov, 251 st ACS National Meeting & Exposition (2016). 12. Calculating nonlinear properties of closed- and open-shell species with EOM- CCSD: Theory and examples, (Talk), K. Nanda, and A. Krylov, 56 th Sanibel Symposium (2016). 11. Nonlinear properties with EOM-CCSD: Expectation-value vs. full-response approach, (Poster), K. Nanda, and A. Krylov, 56 th Sanibel Symposium (2016). 10. Calculation of two-photon absorption cross-sections within EOM-EE-CCSD formalism: Theory and examples, (Talk), K. Nanda, and A. Krylov, 249 th ACS National Meeting & Exposition (2015). 9. GPU-accelerated implementations of advanced electronic structure methods in Q- Chem, (Poster), K. Nanda, E. Epifanovsky, and A. Krylov, 249 th ACS National Meeting & Exposition (2015). 8. GPU-Based Implementations of Coupled-Cluster Methods in Q-Chem, (Talk), K. Nanda, E. Epifanovsky, K. Khistyaev and A. Krylov, SC14, USC booth (2014). 7. Calculation of nonlinear optical properties within EOM-EE-CCSD formalism: Theory and examples, (Poster), K. Nanda, and A. Krylov, The 14 th Theoretical Chemistry Symposium, CSIR-NCL, Pune, India (2014). 6. (1) Two-photon absorption within EOM-CCSD and (2) coupled-cluster implementations in Q-Chem for GPU architecture, (Invited Talk), K. Nanda, and A. Krylov, Q-Chem developer meeting, Berkeley (2014). 5. Two-photon absorption cross-sections within EOM-EE-CCSD, (Talk), K. Nanda, and A. Krylov, 248 th ACS National Meeting & Exposition (2014). 4. Calculation of nonlinear optical properties within EOM-EE-CCSD formalism: Theory and examples, (Poster), K. Nanda, and A. Krylov, Excited State Processes in Electronic and Bio Nanomaterials Conference (2014). 3. Accurate prediction of thermal and vibrational properties of molecular crystals using a fragment-based QM/MM method, (Talk), K. Nanda, and G. Beran, 245 th ACS National Meeting & Exposition (2013). 2. Fragment-based treatment of organic crystals within chemical accuracy, (Poster), K. Nanda, and G. Beran, 241 st ACS National Meeting & Exposition (2011). 1. Accurate and inexpensive ab initio treatment of large clusters, (Poster), K. Nanda, and G. Beran, 239 th ACS National Meeting & Exposition (2010).
5 Kaushik D. Nanda Page 5 PROFESSIONAL ACTIVITIES 1. Software developer (2013-present): Q-Chem ab intio quantum chemistry package. 2. Software developer ( ): Fragment-based Hybrid Many-Body Interaction method. 3. Peer-reviewed a total of 17 times for Journal of the American Chemical Society, Journal of Chemical Theory and Computation, The Journal of Physical Chemistry Letters, Journal of Chemical Physics, The Journal of Physical Chemistry, Physical Chemistry Chemical Physics, Journal of Molecular Physics, Theoretical Chemistry Accounts, and Molecules. 4. Member of the American Chemical Society since Member of the Inter-American Photochemical Society since COMPUTER SKILLS Chemistry Softwares Q-Chem, Gaussian 09, Tinker, Gaussview, Molden, Crystal09, Mercury 2.4, Autodock, Dalton, IQmol, Gabedit Programming Languages C++, FORTRAN, Mathematica, MATLAB, Message Passing Interface, Shell, CUDA C++ Other Softwares LaTeX, Gnuplot
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