Ryan P. Steele, Ph.D.

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Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801
Zhanserkeev AA, Talbot JJ, Steele RP. (2021) Adiabatic Molecular Orbital Tracking in Molecular Dynamics. Journal of Chemical Theory and Computation. 17: 4675-4685
Riera M, Talbot JJ, Steele RP, et al. (2020) Infrared signatures of isomer selectivity and symmetry breaking in the Cs(HO) complex using many-body potential energy functions. The Journal of Chemical Physics. 153: 044306
Talbot JJ, Yang N, Huang M, et al. (2020) Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex. The Journal of Physical Chemistry. A
Brown SE, Götz AW, Cheng X, et al. (2017) Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy. Journal of the American Chemical Society
Cheng X, Talbot JJ, Steele RP. (2016) Tuning vibrational mode localization with frequency windowing. The Journal of Chemical Physics. 145: 124112
Talbot JJ, Cheng X, Herr JD, et al. (2016) Vibrational Signatures of Electronic Properties in Oxidized Water: Unraveling the anomalous spectrum of the water dimer cation. Journal of the American Chemical Society
Pereverzev AY, Cheng X, Nagornova NS, et al. (2016) Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan. The Journal of Physical Chemistry. A
Cheng X, Herr JD, Steele RP. (2016) Accelerating Ab Initio Path Integral Simulations via Imaginary Multiple-Timestepping. Journal of Chemical Theory and Computation
Herr JD, Steele RP. (2016) Accelerating ab initio molecular dynamics simulations by linear prediction methods Chemical Physics Letters. 661: 42-47