Curriculum Vitae: Ravishankar Sundararaman
Address: Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180
Office: MRC 208B,
Phone: (518)2766757,
Email: sundar@rpi.edu
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Scholar
Professional appointments

Assistant Professor, Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (2016present).

Postdoctoral fellow, Joint Center for Artifical Photosynthesis, Lawrence Berkeley National Laboratory and California Institute of Technology (20132016).
Education

Ph.D. Physics, Cornell University (August 2013).

B.Sc. + M.Sc. Physics, Indian Institute of Technology, Kanpur (June 2007).
Awards and fellowships

Rensselaer School of Engineering Research Excellence Award (2020)

AIME Robert Lansing Hardy Award (2020)

Materials Postdoc Fellowship, Lawrence Berkeley National Laboratory (20132015).

Best poster at the 24^{th} annual workshop on Electronic Structure methods (2012).

Cornell Graduate School Fellowship (200708).

Presidentâ€™s Gold Medal in IIT Kanpur (2007).

Gold Medal at the 33^{rd} International Physics Olympiad (2002)

Gold Medal at the Indian National Physics Olympiad (2001 & 2002)

KVPY fellowship of the Department of Science and Technology, Government of India (20002007)
Publications
 N. S. Sitaraman, M. M. Kelley, R. D. Porter, M. U. Liepe, T. A. Arias, J. Carlson, A. R. Pack, M. K. Transtrum and R. Sundararaman, “Effect of the density of states at the Fermi level on defect free energies and superconductivity: A case study of Nb_{3}Sn”, Phys. Rev. B 103, 115106 (2021)
 P. Gupta, L. S. Schadler and R. Sundararaman, “Dielectric properties of polymer nanocomposite interphases from electrostatic force microscopy using machine learning”, Mater. Charact. 173, 110909 (2021)
 L. Chen, S. Kumar, M. Yahagi, D. Ando, Y. Sutou, D. Gall, R. Sundararaman and J. Koike, “Interdiffusion reliability and resistivity scaling of intermetallic compounds as advanced interconnect materials”, J. Appl. Phys. 129, 035301 (2021)
 A. M. Maldonado, S. Hagiwara, T. H. Choi, F. Eckert, K. Schwarz, R. Sundararaman, M. Otani and J. A. Keith, “Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms”, J. Phys. Chem. A 125, 154 (2021)
 K. Schwarz, M. C. Groenenboom, T. P. Moffat, R. Sundararaman and J. Vinson, “Resolving the Geometry/Charge Puzzle of the c(2x2)Cl Cu(100) Electrode”, J. Phys. Chem. Lett. 12, 440 (2021)
 A. Habib, H. Vijayamohanan, C. K. Ullal and R. Sundararaman, “Coupled Electromagnetic and Reaction Kinetics Simulation of SuperResolution Interference Lithography”, J. Phys. Chem. B 124, 7717 (2020)
 G. Tagliabue, J. S. DuChene, M. Abdellah, A. Habib, D. J. Gosztola, Y. Hattori, W.H. Cheng, K. Zheng, S. E. Canton, R. Sundararaman, J. Sa and H. A. Atwater, “Ultrafast hothole injection modifies hotelectron dynamics in Au/pGaN heterostructures”, Nature Mater. 19, 1312 (2020) (Preprint: arXiv:1810.04238)
 R. Sundararaman, T. Christensen, Y. Ping, N. Rivera, J. D. Joannopoulos, M. Soljacic and P. Narang, “Plasmonics in argentene”, Phys. Rev. Mater. 4, 074011 (2020) (Preprint: arXiv:1806.02672)
 J. Xu, A. Habib, S. Kumar, F. Wu, R. Sundararaman and Y. Ping, “Spinphonon relaxation from a universal ab initio densitymatrix approach”, Nature Commun. 11, 2780 (2020) (Preprint: arXiv:1910.14198)
 K. Schwarz and R. Sundararaman, “The electrochemical interface in firstprinciples calculations”, Surf. Sci. Rep. 75, 100492 (2020)
 L. S. Schadler, L. C. Brinson, W. Chen, R. Sundararaman, P. Gupta, P. Prabhune, A. Iyer, Y. Wang and A. Shandilya, “A perspective on the datadriven design of polymer nanodielectrics”, J. Phys. D: Appl. Phys. 53, 333001 (2020)
 G. Tagliabue, J. S. DuChene, A. Habib, R. Sundararaman and H. A. Atwater, “Hot Hole versus Hot Electron Transport at Copper/GaN Heterojunction Interfaces”, ACS Nano 14, 5788 (2020)
 Y. Hu, F. Florio, Z. Chen, W. A. Phelan, M. A. Siegler, Z. Zhou, Y. Guo, R. Hawks, J. Jiang, J. Feng, L. Zhang, B. Wang, Y. Wang, D. Gall, E. F. Palermo, Z. Lu, X. Sun, T.M. Lu, H. Zhou, Y. Ren, E. Wertz, R. Sundararaman and J. Shi, “A chiral switchable photovoltaic ferroelectric 1D perovskite”, Sci. Adv. 6, eaay4213 (2020)
 D. Wang and R. Sundararaman, “Layer dependence of defect charge transition levels in twodimensional materials”, Phys. Rev. B 101, 054103 (2020)
 A. Shandilya, L. S. Schadler and R. Sundararaman, “Firstprinciples identification of localized trap states in polymer nanocomposite interfaces”, J. Mater. Research 35, 931 (2020)
 A. A. Karanastasis, G. S. Kenath, R. Sundararaman and C. K. Ullal, “Quantification of functional crosslinker reaction kinetics via superresolution microscopy of swollen microgels”, Soft Matter 15, 9336 (2019)
 D. Wang and R. Sundararaman, “Substrate effects on charged defects in twodimensional materials”, Phys. Rev. Mater. 3, 083803 (2019) (Preprint: arXiv:1908.05208)
 S. Kassavetis, B. D. Ozsdolay, N. Kalfagiannis, A. Habib, J.H. Tortai, S. Kerdsongpanya, R. Sundararaman, M. Stchakovsky, D. V. Bellas, D. Gall and P. Patsalas, “NearZero Negative Real Permittivity in Far Ultraviolet: Extending Plasmonics and Photonics with B1MoNx”, J. Phys. Chem. C 123, 21120 (2019)
 A. S. Jermyn, G. Tagliabue, H. A. Atwater, W. A. Goddard III, P. Narang and R. Sundararaman, “Transport of hot carriers in plasmonic nanostructures”, Phys. Rev. Mater. 3, 075201 (2019) (Preprint: arXiv:1707.07060)
 M. Chandra, G. Kataria, D. Sahdev and R. Sundararaman, “Hydrodynamic and ballistic AC transport in twodimensional Fermi liquids”, Phys. Rev. B 99, 165409 (2019) (Preprint: arXiv:1803.10037)
 M.N. Su, C. Ciccarino, S. Kumar, P. Dongare, S. A. H. Jebeli, D. Renard, Y. Zhang, B. Ostovar, W.S. Chang, P. Nordlander, N. J. Halas, R. Sundararaman, P. Narang, and S. Link, “Ultrafast Electron Dynamics in Single Aluminum Nanostructures”, Nano Lett. 19, 3091 (2019)
 C. K. Ullal, J. Shi and R. Sundararaman, “Electron mobility in graphene without invoking the Dirac equation”, Am. J. Phys. 87, 291 (2019) (Preprint: arXiv:1806.10027)
 M. E. Trusheim, N. H. Wan, K. C. Chen, C. J. Ciccarino, J. Flick, R. Sundararaman, G. Malladi, E. Bersin, M. Walsh, B. Lienhard, H. Bakhru, P. Narang, and D. Englund, “Leadrelated quantum emitters in diamond”, Phys. Rev. B 99, 075430 (2019)
 J. Coulter, R. Sundararaman and P. Narang, “Microscopic origins of hydrodynamic transport in the typeII Weyl semimetal WP_{2}”, Phys. Rev. B 98, 115130 (2018)
 G. Tagliabue, A. S. Jermyn, R. Sundararaman, A. J. Welch, J. S. DuChene, R. Pala, A. R. Davoyan, P. Narang and H. A. Atwater, “Quantifying the role of surface plasmon excitation and hot carrier transport in plasmonic devices”, Nature Commun. 9, 3394 (2018)
 C. J. Ciccarino, T. Christensen, R. Sundararaman and P. Narang, “Dynamics and SpinValley Locking Effects in Monolayer Transition Metal Dichalcogenides”, Nano Lett. 18, 5709 (2018)
 M. C. Figueiredo, D. Hiltrop, R. Sundararaman, K. A. Schwarz and M. T. M. Koper, “Absence of diffuse double layer effect on the vibrational properties and oxidation of chemisorbed carbon monoxide on a Pt(111) electrode”, Electrochim. Acta 281, 127 (2018)
 A. Habib, F. Florio and R. Sundararaman, “Hot carrier dynamics in plasmonic transition metal nitrides”, J. Opt. 20, 064001 (2018) (Preprint: arXiv:1802.00727)
 T. Zhou, P. Zheng, S. C. Pandey, R. Sundararaman and D. Gall, “The electrical resistivity of rough thin films: A model based on electron reflection at discrete step edges”, J. Appl. Phys. 123, 155107 (2018)
 R. Sundararaman, K. Letchworth Weaver and K. A. Schwarz, “Improving Accuracy of Electrochemical Capacitance and Solvation Energetics in FirstPrinciples Calculations”, J. Chem. Phys. 148, 144105 (2018) (Preprint: arXiv:1801.07705)
 F. Florio, G. Sinha and R. Sundararaman, “Designing HighAccuracy Permanent Magnets for LowPower Magnetic Resonance Imaging”, IEEE Trans. Magn. 54, 1 (2018)
 G. T. Papadakis, P. Narang, R. Sundararaman, N. Rivera, H. Buljan, N. Engheta and M. Soljacic, “Ultralight Åscale Optimal Optical Reflectors”, ACS Photonics 5, 384 (2018) (Preprint: arXiv:1707.06717)
 F. Wu, A. Galatas, R. Sundararaman, D. Rocca and Y. Ping, “Firstprinciples engineering of charged defects for twodimensional quantum technologies”, Phys. Rev. Mater. 1, 071001(R) (2017) (Preprint: arXiv:1710.00257)
 O. Lozan, R. Sundararaman, B. EaKim, J.M. Rampnoux, P. Narang, S. Dilhaire and P. Lalanne, “Increased rise time of electron temperature during adiabatic plasmon focusing”, Nature Commun. 8, 1656 (2017)
 R. Sundararaman, K. LetchworthWeaver, K. A. Schwarz, D. Gunceler, Y. Ozhabes and T.A. Arias, “JDFTx: software for joint densityfunctional theory”, SoftwareX 6, 278 (2017) (Preprint: arXiv:1708.03621)
 B. de Nijs, F. Benz, S. J. Barrow, D. O. Sigle, R. Chikkaraddy, A. Palma, C. Carnegie, M. Kamp, R. Sundararaman, P. Narang, O. A. Scherman and J. J. Baumberg, “Plasmonic tunnel junctions for singlemolecule redox chemistry”, Nature Commun. 8, 998 (2017)
 R. Sundararaman, M. C. Figueiredo, M. T. M. Koper and K. A. Schwarz, “Electrochemical Capacitance of COterminated Pt(111) is Dominated by COSolvent Gap”, J. Phys. Chem. Lett. 8, 5344 (2017) (Preprint: arXiv:1709.09210)
 L. Blumenthal, J. M. Kahk, R. Sundararaman, P. Tangney and J. Lischner, “Energy level alignment at semiconductorwater interfaces from atomistic and continuum solvation models”, RSC Advances 7, 43660 (2017)
 S. Choudhury, Z. Tu, S. Stalin, D. Vu, K. Fawole, D. Gunceler, R. Sundararaman and L. Archer, “Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport”, Angew. Chem. Int. Ed. 56, 13070 (2017)
 E. Cortes, W. Xie, J. Cambiasso, A. Jermyn, R. Sundararaman, P. Narang, S. Schlucker and S. A. Maier, “Plasmonic hot electron transport drives nanolocalized chemistry”, Nature Commun. 8, 14880 (2017) (Preprint: arXiv:1607.05657)
 P. Narang, L. Zhao, S. Claybrook and R. Sundararaman, “Effects of Interlayer Coupling on Hot Carrier Dynamics in GrapheneDerived van der Waals Heterostructures”, Adv. Opt. Mater. 5, 1600914 (2017) (Preprint: arXiv:1612.08196)
 R. Sundararaman, W. A. Goddard III and T. A. Arias, “Grand canonical electronic densityfunctional theory: Algorithms and applications to electrochemistry”, J. Chem. Phys. 146, 114104 (2017) (Preprint: arXiv:1701.04490)
 R. Sundararaman and Y. Ping, “Firstprinciples electrostatic potentials for reliable alignment at interfaces and defects”, J. Chem. Phys. 146, 104109 (2017) (Preprint: arXiv:1612.01671)
 R. Sundararaman and K. Schwarz, “Evaluating continuum solvation models for the electrodeelectrolyte interface: Challenges and strategies for improvement”, J. Chem. Phys. 146, 084111 (2017) (Preprint: arXiv:1612.00931)
 A. Brown, R. Sundararaman, P. Narang, A. M. Schwartzberg, W.A. Goddard III and H.A. Atwater, “Experimental and Ab initio Ultrafast Carrier Dynamics in Plasmonic Nanoparticles”, Phys. Rev. Lett. 118, 087401 (2017) (Preprint: arXiv:1608.03309)
 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 UpConversion in HighField Plasmonic Hot Carrier Systems”, J. Phys. Chem. C 120, 21056 (2016)
 K. Schwarz, B. Xu, Y. Yan and R. Sundararaman, “Partial oxidation of stepbound water leads to anomalous pH effects on metal electrode stepedges”, Phys. Chem. Chem. Phys. 18, 16216 (2016)
 P. Narang, R. Sundararaman and H.A. Atwater, “Plasmonic hot carrier dynamics in solidstate 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, “NonRadiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces and Geometry”, ACS Nano, 10, 957 (2016)
 Y. Ping, R. Sundararaman and W.A. Goddard III, “Solvation effects on the band edge positions of photocatalysts from first principles”, Phys. Chem. Chem. Phys., 17 30499 (2015)
 K.A. Schwarz, R. Sundararaman, T.P. Moffat and T. Allison, “Formic acid oxidation on platinum: a simple mechanistic study”, Phys. Chem. Chem. Phys., 17 20805 (2015)
 K.A. Schwarz, R. Sundararaman and T.A. Arias, “Computationally efficient dielectric calculations of molecular crystals”, J. Chem. Phys. 142, 214101 (2015)
 R. Sundararaman and W.A. Goddard III, “The chargeasymmetric nonlocallydetermined localelectric (CANDLE) solvation model”, J. Chem. Phys. 142, 064107 (2015) (Preprint: arXiv:1410.2922)
 R. Sundararaman, K.A. Schwarz, K. LetchworthWeaver and T.A. Arias, “Spicing up continuum solvation models with SaLSA: The sphericallyaveraged liquid susceptibility ansatz”, J. Chem. Phys. 142, 054102 (2015) (Preprint: arXiv:1410.2273)
 R. Sundararaman, P. Narang, A. Jermyn, W.A. Goddard III and H.A. Atwater, “Theoretical predictions for hotcarrier generation from surface plasmon decay”, Nature Commun. 5, 5788 (2014)
 R. Sundararaman, D. Gunceler and T.A. Arias, “Weighteddensity functionals for cavity formation and dispersion energies in continuum solvation models”, J. Chem. Phys. 141, 134105 (2014) (Preprint: arXiv:1407.4011)
 R. Sundararaman, K. LetchworthWeaver and T.A. Arias, “A recipe for freeenergy 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. LetchworthWeaver, T.A. Arias and R. Hennig, “Implicit solvation model for densityfunctional study of nanocrystal surfaces and reaction pathways”, J. Chem. Phys. 140, 084106 (2014)
 R. Sundararaman and T.A. Arias, “Efficient classical densityfunctional theories of rigidmolecular fluids and a simplified free energy functional for liquid water”, Comp. Phys. Comm. 185, 818 (2014) (Preprint: arXiv:1302.0026)
 R. Sundararaman and T.A. Arias, “Ideal regularization of the Coulomb singularity in exact exchange by WignerSeitz truncated interactions: towards chemical accuracy in nontrivial systems”, Phys. Rev. B 87, 165122 (2013) (Preprint: arXiv:1302.6204)
 D. Gunceler, K. LetchworthWeaver, R. Sundararaman, K.A. Schwarz and T.A. Arias, “The importance of nonlinear fluid response in joint densityfunctional theory studies of battery systems”, Mod. Sim. Mat. Sci. Eng. 21, 074005 (2013) (Preprint: arXiv:1301.6189)
 R. Sundararaman, K. LetchworthWeaver and T.A. Arias, “A computationally efficacious freeenergy functional for studies of inhomogeneous liquid water”, J. Chem. Phys. 137, 044107 (2012) (Preprint: arXiv:1112.1442)
 K.A. Schwarz, R. Sundararaman, K. LetchworthWeaver, T.A. Arias and R.G. Hennig, “Framework for solvation in quantum Monte Carlo”, Phys. Rev. B 85, 201102(R) (2012) (Preprint: arXiv:1204.6330)
 M. Kim, R. Sundararaman, S. Tiwari and J.W. Lee, “Charge Trapping Devices Using a Bilayer Oxide Structure”, J. Nanosci. and Nanotech. 12, 423 (2012)
 J.M. Rubin, R. Sundararaman, M. Kim and S. Tiwari, “A Lowvoltage Torsion Nanorelay”, IEEE Electron Device Letters 32, 414 (2011)
 R. Sundararaman and S. Tiwari, “A universal semiempirical model for the FowlerNordheim programming of charge trapping devices”, Appl. Phys. Lett. 96, 023502 (2010)
 G. Sinha, R. Sundararaman, and G. Singh, “Design Concepts of Optimized MRI Magnet”, IEEE Trans. Magn., 44, 2351 (2008)
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Till 2011
Invited talks
 “Firstprinciples electrochemistry with grandcanonical DFT and continuumsolvation methods”, American Physical Society March Meeting (slides online), Denver (March 3, 2020)
 “Ab initio multiphysics: materials combining quantum and classical simulation techniques”, RISE Symposium, University of Puerto Rico, Cayey (Feb 1 2020)
 “Leaving the collective: plasmonics from a hot electron's point of view”, Stevens Institute of Technology, Hoboken, New Jersey (Oct 25, 2019)
 “Grandcanonical continuum solvation for firstprinciples electrochemistry”, Computational Materials Chemistry workshop, Telluride (July 16, 2019)
 “Ultrafast dynamics and transport of plasmonic hot carriers”, University of California, Santa Cruz (May 17, 2019)
 “Firstprinciples design of quantum defects in 2D materials”, American Vacuum Society Meeting, General Electric Global Research, Niskayuna, New York (May 7, 2019)
 “Functional approximations for densityfunctional theory”, University of Colorado, Boulder (May 1, 2019)
 “Firstprinciples electrochemistry with grandcanonical DFT and continuumsolvation methods”, National Renewable Energy Laboratory, Golden (June 12, 2018)
 “Firstprinciples electrochemistry with grandcanonical DFT and continuumsolvation methods”, University of Colorado, Boulder (June 11, 2018)
 “Designing nanomaterials for plasmonic hot carrier applications using ab initio multiphysics”, CECAM Workshop on Charge carrier dynamics in nanostructures: optoelectronic and photostimulated processes, Bremen, Germany (October 12, 2017)
 “Firstprinciples methods for modeling electrochemical processes”, 254th ACS National Meeting, Washington DC (August 21, 2017)
 “Plasmonic hot carriers: Towards material design”, ACS 2017 Middle Atlantic Regional Meeting, Hershey, Pennsylvania (June 5, 2017)
 “Material design for plasmonic and hotcarrier devices”, Pacific Rim Conference on Ceramic and Glass Technology (PACRIM 12), Waikoloa, Hawaii (May 23, 2017)
 “After the plasmon: designing materials to exploit nonequilibrium carriers”, MRS Spring Meeting 2017, Phoenix (April 20, 2017)
 “Leaving the collective: plasmonics from a hot electron's point of view”, International Center for Theoretical Sciences, Bengaluru, India (Dec 9, 2016)
 “Densityfunctional methods for electrochemistry and hot carrier dynamics”, Department of Metallurgical and Materials Engineering, Indian Institute of Technology Madras, Chennai, India (Dec 5, 2016)
 “Leaving the collective: plasmonics from a hot electron's point of view”, Department of Physics, Indian Institute of Technology Delhi, New Delhi, India (Nov 30, 2016)
 “Densityfunctional methods for electrochemistry and hot carrier dynamics”, Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai, India (Nov 28, 2016)
 “Leaving the collective: plasmonics from a hot electron's point of view”, Tata Institute of Fundamental Research, Mumbai, India (Nov 21, 2016)
 “Plasmonic hot carrier dynamics: electronic structure perspectives”, Workshop on physics of lightmatter interactions and excited state dynamics, NG Next Basic Research Laboratory, Northrop Grumman corporation, Redondo Beach (Oct 26, 2016)
 “Electron interactions with liquids and light in nanoengineered energy conversion systems”, Center for Nanoscale Materials, Argonne National Laboratory (Feb 24, 2016)
 “Electron interactions with liquids and light in nanoengineered energy conversion systems”, Department of Materials Science, University of Wisconsin, Madison (Feb 22, 2016)
 “First principles electrochemistry using joint density functional theory and continuum solvation methods”, CAMS workshop on “Enabling Methods for Materials Innovation from Quantum to Mesoscale”, University of Florida, Gainesville (June 4, 2015)
 “Liquids, electrochemistry and plasmonics: from electronic structure to properties at the mesoscale”, Department of Materials Science and Engineering, Penn State, University Park (April 14, 2015)
 “Continuum solvation from joint density functional theory”, Chemistry department, University of California, Riverside (Nov 10, 2014)
 “Nonlocal polarizable continuum models from joint density functional theory”, 25^{th} annual workshop on Electronic Structure methods, College of William and Mary, Williamsburg (June 14, 2013)
 “Accurate free energy functionals of liquid water for the Joint Density Functional description of solvated electronic systems”, Theoretical chemistry division, Bhabha atomic research center, Mumbai, India (Aug 8, 2011)