Publications

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2017

2016

  • A. Brown, R. Sundararaman, P. Narang, W.A. Goddard III and H.A. Atwater, “Ab initio phonon coupling and optical response of hot electrons in plasmonic metals”, Phys. Rev. B 91, 075120 (2016) (Preprint: arXiv:1602.00625)

  • P. Narang, R. Sundararaman, A. Jermyn, W.A. Goddard III and H.A. Atwater, “Cubic Nonlinearity Driven Up-Conversion in High-Field Plasmonic Hot Carrier Systems”, J. Phys. Chem. C 120, 21056 (2016)

  • K. Schwarz, B. Xu, Y. Yan and R. Sundararaman, “Partial oxidation of step-bound water leads to anomalous pH effects on metal electrode step-edges”, Phys. Chem. Chem. Phys. 18, 16216 (2016)

  • P. Narang, R. Sundararaman and H.A. Atwater, “Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion”, Nanophotonics 5, 96 (2016)

  • H. Xiao, T. Cheng, W.A. Goddard III and R. Sundararaman, “Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)”, J. Am. Chem. Soc. 138, 483 (2016)

  • A. Brown, R. Sundararaman, P. Narang, W.A. Goddard III and H.A. Atwater, “Non-Radiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces and Geometry”, ACS Nano, 10, 957 (2016)

2015

2014

  • R. Sundararaman, P. Narang, A. Jermyn, W.A. Goddard III and H.A. Atwater, “Theoretical predictions for hot-carrier generation from surface plasmon decay”, Nature Commun. 5, 5788 (2014)

  • R. Sundararaman, D. Gunceler and T.A. Arias, “Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models”, J. Chem. Phys. 141, 134105 (2014) (Preprint: arXiv:1407.4011)

  • R. Sundararaman, K. Letchworth-Weaver and T.A. Arias, “A recipe for free-energy functionals of polarizable molecular fluids”, J. Chem. Phys. 140, 144504 (2014) (Preprint: arXiv:1402.3237)

  • M.E. Holtz, Y. Yu, D. Gunceler, J. Gao, R. Sundararaman, K.A Schwarz, T.A. Arias, H.D. Abruna and D.A. Muller, “Nanoscale Imaging of Lithium Ion Distribution During In Situ Operation of Battery Electrode and Electrolyte”, Nano Lett. 14, 1453 (2014) (Preprint: arXiv:1311.6490)

  • K. Matthew, R. Sundararaman, K. Letchworth-Weaver, T.A. Arias and R. Hennig, “Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways”, J. Chem. Phys. 140, 084106 (2014)

  • R. Sundararaman and T.A. Arias, “Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water”, Comp. Phys. Comm. 185, 818 (2014) (Preprint: arXiv:1302.0026)

2013

  • R. Sundararaman and T.A. Arias, “Ideal regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: towards chemical accuracy in non-trivial systems”, Phys. Rev. B 87, 165122 (2013) (Preprint: arXiv:1302.6204)

  • D. Gunceler, K. Letchworth-Weaver, R. Sundararaman, K.A. Schwarz and T.A. Arias, “The importance of nonlinear fluid response in joint density-functional theory studies of battery systems”, Mod. Sim. Mat. Sci. Eng. 21, 074005 (2013) (Preprint: arXiv:1301.6189)

2012

Till 2011