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
PDF version,
Scholar
Professional appointments

Priti and Mukesh Chatter ‘82 Career Development Chair (2022present).

Associate Professor, Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (2021present).

Assistant Professor, Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (20162021).

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).

President’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
Citations: 9100+, hindex: 42 (Scholar)
 S. Kumar, Y.H. Tu, S. Luo, N. A. Lanzillo, T.R. Chang, G. Liang, R. Sundararaman, H. Lin and C.T. Chen, “Surfacedominated conductance scaling in Weyl semimetal NbAs”, npj Comput. Mater. 10, 84 (2024)
 K. Fazel, N. Karimitari, T. Shah, C. Sutton and R. Sundararaman, “Improving the reliability of machine learned potentials for modeling inhomogeneous liquids”, J. Comput. Chem. , in press (2024)
 A. Stelson, D. Laage, K. Schwarz and R. Sundararaman, “Solidliquid interfaces: Atomicscale structure and dynamics”, J. Appl. Phys. 135, 160401 (2024)
 A. R. Bowman, A. R. Echarri, F. Kiani, F. Iyikanat, T. V. Tsoulos, J. D. Cox, R. Sundararaman, F. J. García de Abajo and G. Tagliabue, “Quantummechanical effects in photoluminescence from thin crystalline gold films”, Light: Sci. Appl. 13, 91 (2024)
 Z. Wang, Z. Chen, R. Xu, H. Zhu, R. Sundararaman and J. Shi, “Challenges and opportunities in searching for RashbaDresselhaus materials for efficient spincharge interconversion at room temperature”, Curr. Opin. Solid State Mater. Sci. 29, 101145 (2024)
 Q. P. Sam, Q. Tan, C. Multunas, M. T. Kiani, R. Sundararaman, X. Ling and J. J. Cha, “Nanomolding of TwoDimensional Materials”, ACS Nano 18, 1110 (2024)
 A. Ghorashi, N. Rivera, B. Shi, R. Sundararaman, E. Kaxiras, J. Joannopoulos, and M. Soljacic, “Highly confined, lowloss plasmonics based on twodimensional solidstate defect lattices”, Phys. Rev. Materials 8, L011001 (2024)
 M. M. Salour, J. G. Grote, G. Kataria, M. Chandra and R. Sundararaman, “Electromagnetic shielding using Anderson localization in nanoparticle–biopolymer composites”, J. Appl. Phys. 135, 025101 (2024)
 M. M. Kelley, R. Sundararaman and T. A. Arias, “Fully Ab Initio Approach to Inelastic AtomSurface Scattering”, Phys. Rev. Lett. 132, 016203 (2024)
 J. Xu, K. Li, U. N. Huynh, M. Fadel, J. Huang, R. Sundararaman, V. Vardeny and Y. Ping, “How spin relaxes and dephases in bulk halide perovskites”, Nature Commun. 15, 188 (2024)
 C. Multunas, A. Grieder, J. Xu, Y. Ping and R. Sundararaman, “Circular dichroism of crystals from first principles”, Phys. Rev. Materials 7, 123801 (2023)
 C. Zhang, J. Cheng, Y. Chen, M. K. Y. Chan, Q. Cai, R. P. Carvalho, C. F. N. Marchiori, D. Brandell, C. M. Araujo, M. Chen, X. Ji, G. Feng, K. Goloviznina, A. Serva, M. Salanne, T. Mandai, T. Hosaka, M. Alhanash, P. Johansson, Y.Z. Qiu, H. Xiao, M. Eikerling, R. Jinnouchi, M. M. Melander, G. Kastlunger, A. Bouzid, A. Pasquarello, S.J. Shin, M. M. Kim, H. Kim, K. Schwarz and R. Sundararaman, “2023 Roadmap on molecular modelling of electrochemical energy materials”, J. Phys. Energy 5, 041501 (2023)
 S. Adhikari, J. Clary, R. Sundararaman, C. B. Musgrave, D. VigilFowler and C. A. Sutton, “Accurate Prediction of HSE06 Band Structures for a Diverse Set of Materials Using Δ‐Learning”, Chem. Mater. 35, 8397 (2023)
 C. R. Tezak, N. R. Singstock, A. W. Alherz, D. VigilFowler, C. A. Sutton, R. Sundararaman, and C. B. Musgrave, “Revised Nitrogen Reduction Scaling Relations from PotentialDependent Modeling of Chemical and Electrochemical Steps”, ACS Catal. 13, 12894 (2023)
 T. Shah, K. Fazel, J. Lian, L. Huang, Y. Shi and R. Sundararaman, “Firstprinciples molten salt phase diagrams through thermodynamic integration”, J. Chem. Phys. 159, 124502 (2023)
 F. Kiani, A. R. Bowman, M. Sabzehparvar, C. O. Karaman, R. Sundararaman and G. Tagliabue, “Transport and Interfacial Injection of dBand Hot Holes Control Plasmonic Chemistry”, ACS Energy Lett. 8, 4242 (2023)
 J. M. Clary, M. Del Ben, R. Sundararaman and D. VigilFowler, “Impact of solvation on the GW quasiparticle spectra of molecules”, J. Appl. Phys. 134, 085001 (2023)
 P. Prabhune, Y. Comlek, A. Shandilya, R. Sundararaman, L. S. Schadler, L. C. Brinson and W. Chen, “Design of Polymer Nanodielectrics for Capacitive Energy Storage”, Nanomater. 13, 2394 (2023)
 G. Ramanath, C. Rowe, G. Sharma, V. Venkataramani, J. G. Alauzun, R. Sundararaman, P. Keblinski, D. G. Sangiovanni, P. Eklund and H. Pedersen, “Engineering inorganic interfaces using molecular nanolayers”, Appl. Phys. Lett. 122, 260502 (2023)
 M. Woodcox, A. Mahata, A. Hagerstrom, A. Stelson, C. Muzny, R. Sundararaman and K. Schwarz, “Simulating dielectric spectra: A demonstration of the direct electric field method and a new model for the nonlinear dielectric response”, J. Chem. Phys. 158, 124122 (2023)
 R. Sundararaman and K. Schwarz, “Solvent effects determine the sign of the charges of maximum entropy and capacitance at silver electrodes”, J. Chem. Phys. 158, 121102 (2023)
 H. J. Han, S. Kumar, G. Jin, X. Ji, J. L. Hart, D. J. Hynek, Q. P. Sam, V. Hasse, C. Felser, D. G. Cahill, R. Sundararaman and J. J. Cha, “Topological Metal MoP Nanowire for Interconnect”, Adv. Mater. 35, 2208965 (2023)
 P. Gupta, E. Ruzicka, B. C. Benicewicz, R. Sundararaman and L. S. Schadler, “Dielectric Properties of Polymer Nanocomposite Interphases Using Electrostatic Force Microscopy and Machine Learning”, ACS Appl. Electron. Mater. 5, 5, 794 (2023)
 M. Zhang, S. Kumar, R. Sundararaman and D. Gall, “Resistivity scaling in CuTi determined from transport measurements and firstprinciples simulations”, J. Appl. Phys. 133, 045102 (2023)
 S. Kumar, C. Multunas and R. Sundararaman, “Fermi surface anisotropy in plasmonic metals increases the potential for efficient hot carrier extraction”, Phys. Rev. Mater. 6, 125201 (2022) (Preprint: arXiv:2205.05007)
 S. Kumar, C. Multunas, B. Defay, D. Gall and R. Sundararaman, “Ultralow electronsurface scattering in nanoscale metals leveraging Fermisurface anisotropy”, Phys. Rev. Mater. 6, 085002 (2022) (Preprint: arXiv:2204.13458)
 Y. Wang, G. Varnavides, R. Sundararaman, P. Anikeeva, J. Gooth, C. Felser and P. Narang, “Generalized design principles for hydrodynamic electron transport in anisotropic metals”, Phys. Rev. Mater. 6, 083802 (2022)
 L. Zhang, J. Jiang, C. Multunas, C. Ming, Z. Chen, Y. Hu, Z. Lu, S. Pendse, R. Jia, M. Chandra, Y. Sun, T. Lu, Y. Ping, R. Sundararaman and J. Shi, “Roomtemperature electrically switchable spin–valley coupling in a van der Waals ferroelectric halide perovskite with persistent spin helix”, Nat. Photonics 16, 529 (2022)
 R. Sundararaman, D. VigilFowler and K. Schwarz, “Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface”, Chem. Rev. 122, 10651 (2022)
 A. Goudarzi, S. Behpour, R. Sundararaman, O. N. Garcia and Y. Rostovtsev, “Trap Dynamics of Hot Electrons in MetalInsulatorMetal Plasmonic structures for ultrafast optoelectronics”, J. Appl. Phys. 131, 194501 (2022)
 A. Habib, J. Xu, Y. Ping and R. Sundararaman, “Electric fields and substrates dramatically accelerate spin relaxation in graphene”, Phys. Rev. B 105, 115122 (2022) (Preprint: arXiv:2012.11550)
 H. M. Le, S. Kumar, N. May, E. MartinezBaez, R. Sundararaman, B. Krishnamoorthy and A. E. Clark, “Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule SolutionPhase Reactions”, J. Chem. Theory Comput. 18, 1286 (2022)
 A. Shandilya, K. Schwarz and R. Sundararaman, “Interfacial water asymmetry at ideal electrochemical interfaces”, J. Chem. Phys. 156, 014705 (2022) (Preprint: arXiv:2203.04914)
 J. Xu, A. Habib, R. Sundararaman and Y. Ping, “Ab initio ultrafast spin dynamics in solids”, Phys. Rev. B 104, 184418 (2021) (Preprint: arXiv:2012.08711)
 J. Xu, H. Takenaka, A. Habib, R. Sundararaman and Y. Ping, “Giant Spin Lifetime Anisotropy and SpinValley Locking in Silicene and Germanene from FirstPrinciples DensityMatrix Dynamics”, Nano Lett. 21, 9594 (2021) (Preprint: arXiv:2110.01128)
 D. Gall, J. J. Cha, Z. Chen, H.J. Han, C. Hinkle, J. A. Robinson, R. Sundararaman and R. Torsi, “Materials for interconnects”, MRS Bulletin 46, 959 (2021)
 S. Kumar, A. Habib and R. Sundararaman, “Plasmonic hot carriers scratch the surface”, Trends Chem. 3, 902 (2021)
 J. K. Nangoi, S. Karkare, R. Sundararaman, H. A. Padmore and T. A. Arias, “The importance of bulk excitations and coherent electronphotonphonon scattering in photoemission from PbTe(111): Ab initio theory with experimental comparisons”, Phys. Rev. B 104, 115132 (2021) (Preprint: arXiv:2006.11924)
 M. Zhang, S. Kumar, R. Sundararaman, and D. Gall, “Resistivity scaling in epitaxial MAXphase Ti_{4}SiC_{3}(0001) layers”, J. Appl. Phys. 130, 034302 (2021)
 J. A. Tomko, S. Kumar, R. Sundararaman, and P. E. Hopkins, “Temperature dependent electron–phonon coupling of Au resolved via lattice dynamics measured with subpicosecond infrared pulses”, J. Appl. Phys. 129, 193104 (2021)
 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”, Nat.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”, Nat.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”, Nat.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”, Nat.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”, Nat.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”, Nat.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”, Nat.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)
2024
2023
2022
2021
2020
2019
2018
2017
2016
2015
2014
2013
2012
Till 2011
Invited talks
 “Machine Learning Exact Functionals in Quantum and Classical DensityFunctional Theory”, SIAM Conference on Materials Science, Pittsburgh, PA (May 19, 2024)
 “Discovering materials to efficiently connect nanoscale transistors in future chips”, UPWARDS Lightning Talk, [online](https://youtu.be/mjRVcas1BIU) (March 7, 2024)
 “Nanoscale interconnects for future semiconductors from first principles”, APS March Meeting, Minneapolis, MN (March 7, 2024)
 “Enhancing electrochemical solvation with molecular dynamics and machine learning”, Sanibel Symposium, St. Augustine, FL (February 28, 2024)
 “Firstprinciples materials design for nanoscale interconnects and spin transport”, University of California, Riverside, CA (November 8, 2023)
 “Firstprinciples materials design for nanoscale interconnects and spin transport”, National Institute of Standards and Technology, Gaitehrsberg, MD (September 12, 2023)
 “Improving electrolyte solvation models for firstprinciples electrochemistry”, ACS National Meeting, San Fransisco, CA (August 16, 2023)
 “Densityfunctional approximations: from electrons to classical fluids”, and “Advancing solvation models from implicit to classical DFT methods”, CCMS Summer Institute Lectures, Lawrence Livermore National Laboratory (August 1, 2023)
 “Improving solvation models with molecular dynamics and machine learning”, Computational Materials Chemistry workshop, Telluride (July 19, 2023)
 “Directional metals for nanoscale interconnects and hot carrier extraction”, Massachusetts Institute of Technology, Boston (May 31, 2023)
 “Firstprinciples electrochemistry beyond grandcanonical densityfunctional theory”, 243^{rd} ECS meeting, Boston (May 30, 2023)
 “Firstprinciples electrochemistry beyond grandcanonical densityfunctional theory”, Louisiana State University, Baton Rouge (Oct 7, 2022)
 “Ab initio quantum ultrafast dynamics of electrons in materials”, MRS Spring Meeting 2022, Honolulu (May 12, 2022)
 “Directional conductors for nanoscale interconnects”, Semiconductor Research Corporation Workshop, online (Feb 16, 2022)
 “Towards firstprinciples electrochemistry with grandcanonical joint densityfunctional theory”, ACS National Meeting, online (August 25, 2021)
 “Towards firstprinciples electrochemistry with grandcanonical joint densityfunctional theory”, University of Colorado, Boulder (April 27, 2021)
 “Firstprinciples electrochemistry with grandcanonical DFT and continuumsolvation methods”, American Physical Society March Meeting, online (March 19, 2021)
 “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)