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Nandini Ananth, Ph.D. - Publications

Affiliations: 
2012- Cornell University, Ithaca, NY, United States 
Area:
Theoretical chemistry and chemical dynamics
Website:
https://chemistry.cornell.edu/nandini-ananth
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30 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Malpathak S, Ananth N. A Linearized Semiclassical Dynamics Study of the Multiquantum Vibrational Relaxation of NO Scattering from a Au(111) Surface. The Journal of Physical Chemistry Letters. 794-801. PMID 38232133 DOI: 10.1021/acs.jpclett.3c03041  0.774
2023 Malpathak S, Ananth N. Non-linear correlation functions and zero-point energy flow in mixed quantum-classical semiclassical dynamics. The Journal of Chemical Physics. 158: 104106. PMID 36922136 DOI: 10.1063/5.0133222  0.785
2022 Malpathak S, Church MS, Ananth N. A Semiclassical Framework for Mixed Quantum Classical Dynamics. The Journal of Physical Chemistry. A. PMID 36070472 DOI: 10.1021/acs.jpca.2c03467  0.776
2022 Miyazaki K, Ananth N. Singularity-free internal conversion golden-rule rate with application to correlated triplet pair recombination in bipentacenes. The Journal of Chemical Physics. 156: 044111. PMID 35105092 DOI: 10.1063/5.0076717  0.699
2022 Ananth N. Path Integrals for Nonadiabatic Dynamics: Multistate Ring Polymer Molecular Dynamics. Annual Review of Physical Chemistry. PMID 35081325 DOI: 10.1146/annurev-physchem-082620-021809  0.362
2021 Yablon LM, Sanders SN, Miyazaki K, Kumarasamy E, He G, Choi B, Ananth N, Sfeir MY, Campos LM. Singlet fission and triplet pair recombination in bipentacenes with a twist. Materials Horizons. PMID 34846410 DOI: 10.1039/d1mh01201k  0.704
2020 Ranya S, Ananth N. Multistate ring polymer instantons and nonadiabatic reaction rates. The Journal of Chemical Physics. 152: 114112. PMID 32199412 DOI: 10.1063/1.5132807  0.515
2019 Church MS, Ananth N. Semiclassical dynamics in the mixed quantum-classical limit. The Journal of Chemical Physics. 151: 134109. PMID 31594341 DOI: 10.1063/1.5117160  0.727
2019 Hele TJH, Fuemmeler EG, Sanders SN, Kumarasamy E, Sfeir MY, Campos LM, Ananth N. Anticipating Acene-based Chromophore Spectra with Molecular Orbital Arguments. The Journal of Physical Chemistry. A. PMID 30802051 DOI: 10.1021/Acs.Jpca.8B12222  0.773
2018 Church MS, Hele TJH, Ezra GS, Ananth N. Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation. The Journal of Chemical Physics. 148: 102326. PMID 29544340 DOI: 10.1063/1.5005557  0.753
2017 Pierre S, Duke JR, Hele TJH, Ananth N. A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer. The Journal of Chemical Physics. 147: 234103. PMID 29272939 DOI: 10.1063/1.4986517  0.748
2017 Kumarasamy E, Sanders SN, Tayebjee MJY, Asadpoordarvish A, Hele TJH, Fuemmeler EG, Pun AB, Yablon LM, Low JZ, Paley DW, Dean JC, Choi B, Scholes GD, Steigerwald ML, Ananth N, et al. Tuning Singlet Fission in Pi-Bridge-Pi Chromophores. Journal of the American Chemical Society. PMID 28799752 DOI: 10.1021/Jacs.7B05204  0.791
2017 Church MS, Antipov SV, Ananth N. Validating and implementing modified Filinov phase filtration in semiclassical dynamics. The Journal of Chemical Physics. 146: 234104. PMID 28641435 DOI: 10.1063/1.4986645  0.713
2016 Althorpe SC, Ananth N, Angulo G, Astumian RD, Beniwal V, Blumberger J, Bolhuis PG, Ensing B, Glowacki DR, Habershon S, Hammes-Schiffer S, Hele TJ, Makri N, Manolopoulos DE, McKemmish LK, et al. Non-adiabatic reactions: general discussion. Faraday Discussions. PMID 27929583 DOI: 10.1039/C6Fd90078J  0.679
2016 Hele TJ, Ananth N. Deriving the exact nonadiabatic quantum propagator in the mapping variable representation. Faraday Discussions. PMID 27752681 DOI: 10.1039/C6Fd00106H  0.82
2016 Duke JR, Ananth N. Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates. Faraday Discussions. PMID 27739549 DOI: 10.1039/C6Fd00123H  0.812
2016 Kenion RL, Ananth N. Direct simulation of electron transfer in the cobalt hexammine(ii/iii) self-exchange reaction. Physical Chemistry Chemical Physics : Pccp. 18: 26117-26124. PMID 27711670 DOI: 10.1039/C6Cp04882J  0.462
2016 Fuemmeler EG, Sanders SN, Pun AB, Kumarasamy E, Zeng T, Miyata K, Steigerwald ML, Zhu XY, Sfeir MY, Campos LM, Ananth N. A Direct Mechanism of Ultrafast Intramolecular Singlet Fission in Pentacene Dimers. Acs Central Science. 2: 316-24. PMID 27280166 DOI: 10.1021/Acscentsci.6B00063  0.79
2015 Zeng T, Danovich D, Shaik S, Ananth N, Hoffmann R. Tuning the Ground State Symmetry of Acetylenyl Radicals. Acs Central Science. 1: 270-8. PMID 27162981 DOI: 10.1021/Acscentsci.5B00187  0.358
2015 Duke JR, Ananth N. Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics. The Journal of Physical Chemistry Letters. 6: 4219-4223. PMID 26722962 DOI: 10.1021/Acs.Jpclett.5B01957  0.815
2015 Antipov SV, Ye Z, Ananth N. Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach. The Journal of Chemical Physics. 142: 184102. PMID 25978878 DOI: 10.1063/1.4919667  0.438
2015 Duke JR, Ananth N. Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics Journal of Physical Chemistry Letters. 6: 4219-4223. DOI: 10.1021/acs.jpclett.5b01957  0.788
2014 Zeng T, Wang H, Lu Y, Xie Y, Wang H, Schaefer HF, Ananth N, Hoffmann R. Tuning spin-states of carbynes and silylynes: a long jump with one leg. Journal of the American Chemical Society. 136: 13388-98. PMID 25152996 DOI: 10.1021/Ja5073993  0.306
2014 Zeng T, Hoffmann R, Ananth N. The low-lying electronic states of pentacene and their roles in singlet fission. Journal of the American Chemical Society. 136: 5755-64. PMID 24697685 DOI: 10.1021/Ja500887A  0.428
2013 Ananth N. Mapping variable ring polymer molecular dynamics: a path-integral based method for nonadiabatic processes. The Journal of Chemical Physics. 139: 124102. PMID 24089745 DOI: 10.1063/1.4821590  0.535
2012 Ananth N, Miller TF. Flux-correlation approach to characterizing reaction pathways in quantum systems: A study of condensed-phase proton-coupled electron transfer Molecular Physics. 110: 1009-1015. DOI: 10.1080/00268976.2012.686641  0.732
2011 Menzeleev AR, Ananth N, Miller TF. Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods. The Journal of Chemical Physics. 135: 074106. PMID 21861555 DOI: 10.1063/1.3624766  0.786
2010 Ananth N, Miller TF. Exact quantum statistics for electronically nonadiabatic systems using continuous path variables. The Journal of Chemical Physics. 133: 234103. PMID 21186854 DOI: 10.1063/1.3511700  0.692
2010 Goodpaster JD, Ananth N, Manby FR, Miller TF. Exact nonadditive kinetic potentials for embedded density functional theory. The Journal of Chemical Physics. 133: 084103. PMID 20815556 DOI: 10.1063/1.3474575  0.774
2007 Ananth N, Venkataraman C, Miller WH. Semiclassical description of electronically nonadiabatic dynamics via the initial value representation. The Journal of Chemical Physics. 127: 084114. PMID 17764236 DOI: 10.1063/1.2759932  0.75
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