Ananth Group
Theoretical Chemistry

Publications

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

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

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

M. S. Church, S. V. Antipov and N. Ananth, "Validating and Implementing Modified Filinov Phase Filtration in Semiclassical Dynamics", Accepted to J. Chem. Phys. (2017).    JCP