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(36) S. Malpathak and N. Ananth. “A Linearized Semiclassical dynamics study of the multi-quantum vibrational relaxation of NO scattering from a Au(111) Surface”, J. Phys. Chem. Lett. 15, 3, 794–801 (2024). JPCL
(35) K. Miyazaki and N. Ananth. “Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories”, J. Chem. Phys. 159, 124110 (2023). JCP
(34) S. Malpathak and N. Ananth. “Non-Linear Correlation Functions and Zero-Point Energy Flow in Mixed Quantum-Classical Semiclassical Dynamics”, J. Chem. Phys. 158, 104106 (2023). JCP
(33) S. Malpathak, M. S. Church, N. Ananth. “A Semiclassical Framework for Mixed Quantum Classical Dynamics”, Invited Feature Article, J. Phys. Chem. A 126, 37, 6359–6375 (2022). JPC
(32) N. Ananth. “Path Integrals for Nonadiabatic Dynamics: Multistate Ring Polymer Molecular Dynamics”, Ann. Rev. Phys. Chem. 73, 299-322 (2022). annurev-physchem
(31) K. Miyazaki and N. Ananth. “Singularity-free internal conversion golden-rule rate with application to correlated triplet pair recombination in bipentacenes”, J. Chem. Phys. 156, 044111 (2022). JCP
(30) L. Yablon, S. Sanders, K. Miyazaki, E. Kumarasamy, G. He, B. Choi, N. Ananth, M. Sfeir, L. Campos. “Singlet fission and triplet pair recombination in bipentacenes with a twist”, Mater. Horiz. 9, 462-470 (2022). Mater. Horiz
(29) B. A. Johnson and N. Ananth. “A Skew Dividing Surface for Accurate Nonadiabatic Mean-Field Ring Polymer Rates”, arXiv:2103.00059 (2021). arXiv
(28) E. C. Eklund and N. Ananth. “Investigating the stability and accuracy of a classical mapping variable Hamiltonian for nonadiabatic quantum dynamics”, Regular and Chaotic Dynamics 26, 131–146 (2021). RCD
(27) S. Ranya and N. Ananth. “Multistate ring polymer instantons and nonadiabatic reaction rates”, J. Chem. Phys. 152, 114112 (2020). JCP
(26) M. S. Church and N. Ananth. “Semiclassical dynamics in the mixed quantum-classical limit”, J. Chem. Phys. 151, 134109 (2019). JCP
(25) T. Hele, E. Fuemmeler, S. Sanders, E. Kumarasamy, M. Sfeir, L. Campos, and N. Ananth. “Anticipating acene-based chromophore spectra with molecular orbital arguments”, J. Phys. Chem. A 123, 13, 2527–2536 (2019). JPC
(24) M. S. Church, T. J. H. Hele, G. S. Ezra, and N. Ananth. “Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation”, J. Chem. Phys. 148, 102326 (2018). JCP
(23) P. Bhattacharyya and N. Ananth. “An Almost Analytical Approach to Simulating 2D Electronic Spectra”, arXiv:1705.00738 (2017). arXiv
(22) S. Pierre, J. R. Duke, T. J. H. Hele, and N. Ananth. “A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer”, J. Chem. Phys. 147, 234103 (2017). JCP
(21) E. Kumarasamy, S. N. Sanders, M. J. Y. Tayebjee, A. Asadpoordarvish, T. J. Hele, E. G. Fuemmeler, A. B. Pun, L. M. Yablon, J. Z. Low, D. W. Paley, J. C. Dean, B. Choi, G. D. Scholes, M. L. Steigerwald, N. Ananth, D. R. McCamey, M. Y. Sfeir, and L. M. Campos, “Tuning Singlet Fission in pi-Bridge-pi Chromophores”, J. Am. Chem. Soc. 139, 12488 (2017). JACS
(20) M. S. Church, S. V. Antipov and N. Ananth, “Validating and Implementing Modified Filinov Phase Filtration in Semiclassical Dynamics”, J. Chem. Phys. 146, 234104 (2017). JCP
(19) J. Duke and N. Ananth, “State space path integrals for electronically nonadiabatic reaction rates”, arXiv:1606.01394 (2016). arXiv
(18) S. Althorpe, N. Ananth et. al., “Non-adiabatic reactions: general discussion”, Faraday Discuss. 195, 311-344 (2016). FD
(17) R. L. Kenion and N. Ananth, “Direct Simulation of Electron Transfer in the Cobalt Hexammine(II/III) Self-Exchange Reaction”, Phys. Chem. Chem. Phys. 18, 26117 (2016). PCCP
(16) J. R. Duke and N. Ananth, “Mean Field Ring Polymer Molecular Dynamics for Electronically Nonadiabatic Reaction Rates”, Faraday Discuss. 195, 253 (2016). FD
(15) T. J. H. Hele and N. Ananth, “Deriving the Exact Nonadiabatic Quantum Propagator in the Mapping Variable Representation”, Faraday Discuss. 195, 269 (2016). FD
(14) E. G. Fuemmeler, S. N. Sanders, A. B. Pun, E. Kumarasamy, T. Zeng, K. Miyata, M. L. Steigerwald, X.-Y. Zhu, M. Y. Sfeir, L. M. Campos, and N. Ananth, “A Direct Mechanism of Ultrafast Intramolecular Singlet Fission in Pentacene Dimers”, Featured Cover, ACS Cent. Sci. 2 316-324 (2016). ACSCS
(13) J. R. Duke and N. Ananth, “Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics”, J. Phys. Chem. Lett. 6, 4219-4223 (2015). JPCL
(12) T. Zeng, D. Danovich, S. Shaik, N. Ananth, and R. Hoffmann, “Tuning the Ground State Symmetry of Acetylenyl Radicals”, ACS Cent. Sci. 1, 270-278 (2015). ACSCS
(11) T. Zeng, K. M. Lancaster, N. Ananth, and R. Hoffmann, “Anomalous orbital admixture in ammine complexes”, J. Organomet. Chem. 792, 6-12 (2015). SD
(10) S. V. Antipov, Z. Ye, and N. Ananth, “Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach”, J. Chem. Phys. 142, 184102 (2015). JCP
(9) T. Zeng, H. Wang, Y. Lu, Y. Xie, H. Wang, H. Schaefer, N. Ananth, and R. Hoffmann, “Tuning spin-states of carbynes and silylynes: A long jump with one leg”, J. Am. Chem. Soc., 136, 38, 13388–13398 (2014). JACS
(8) T. Zeng, N. Ananth, and R. Hoffmann, “Seeking small molecules for singlet fission: a heteroatom substitution strategy”, J. Am. Chem. Soc. 136, 12638-12647, (2014). JACS
(7) T. Zeng, R. Hoffmann, and N. Ananth, “The low-lying electronic states of pentacene and their roles in singlet fission”, J. Am. Chem. Soc. 136, 5755-5764, (2014). JACS
(6) N. Ananth, “Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes”, Editor’s Pick, J. Chem. Phys. 139, 124102 (2013). arXiv
(5) N. Ananth and T. F. Miller, III, “Flux-correlation approach to characterizing reaction pathways in quantum systems: A study of condensed-phase proton-coupled electron transfer”, Mol. Phys. (William H. Miller Festschrift), 110, 1009 (2012). arXiv
(4) A. Menzeleev, N. Ananth and T. F. Miller, III, “Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods”, J. Chem. Phys., 135, 074106 (2011). arXiv
(3) N. Ananth and T. F. Miller, III, “Exact quantum statistics for electronically nonadiabatic systems using continuous path variables”, J. Chem. Phys., 133, 234103 (2010). arXiv
(2) J. D. Goodpaster, N. Ananth, F. R. Manby, and T. F. Miller, III, “Exact non-additive kinetic potential for embedded density functional theory”, J. Chem. Phys. 133, 084103 (2010). JCP
(1) N. Ananth, C. Venkataraman and W. H. Miller, “Semiclassical description of electronically nonadiabatic dynamics via the initial value representation”, J. Chem. Phys. 127, 084114 (2007). JCP