Ryan P. Steele, Ph.D.
Affiliations: | 2008 | University of California, Berkeley, Berkeley, CA |
Area:
Theoretical ChemistryGoogle:
"Ryan Steele"Mean distance: 8.7 | S | N | B | C | P |
Parents
Sign in to add mentorMartin Head-Gordon | grad student | 2008 | UC Berkeley | |
(Dual-basis methods for electronic structure theory.) |
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Publications
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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 |