# David R. Yarkony

## Affiliations: | Chemistry | Johns Hopkins University, Baltimore, MD |

##### Area:

Theoretical Studies of Electronically Nonadiabatic Processes##### Website:

http://www.chemistry.jhu.edu/Yarkony/biography.html##### Google:

"David R. Yarkony"##### Bio:

http://www.jhu.edu/~chem/yarkony/index.html

## Mean distance: 7.9 | S | N | B | C | P |

#### Parents

Sign in to add mentorHenry F. Schaefer, III | grad student | 1975 | UC Berkeley | |

(Advances in the solution of the electronic schroedinger equation for moderately symmetric open shell molecules) | ||||

Robert J. Silbey | post-doc | 1975-1977 | MIT |

#### Children

Sign in to add traineeElizabeth M. Y. Lee | research assistant | 2011-2012 | Johns Hopkins |

Joseph Dillon | grad student | 2011 | Johns Hopkins |

Longzhi Lin | grad student | 2011 | Johns Hopkins |

Michael Schuurman | post-doc | Johns Hopkins | |

Nikita Matsunaga | post-doc | 1995-1998 | Johns Hopkins |

Spiridoula C. Matsika | post-doc | 2000-2003 | Johns Hopkins |

Kousik Samanta | post-doc | 2009-2010 | Johns Hopkins |

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#### Publications

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Guan Y, Xie C, Guo H, et al. (2023) Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States. Journal of Chemical Theory and Computation |

Wang Y, Guo H, Yarkony DR. (2022) Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin-orbit and derivative couplings. Nonadiabatic photodissociation dynamics of NH(A) leading to the NH(XΣ, aΔ) + H channel. Physical Chemistry Chemical Physics : Pccp |

Shen Y, Yarkony DR. (2021) Unified Description of the Jahn-Teller Effect in Molecules with Only C Symmetry: Cyclohexoxy in Its Full 48-Dimensional Internal Coordinates. The Journal of Physical Chemistry. A |

Guan Y, Xie C, Guo H, et al. (2021) Enabling a Unified Description of Both Internal Conversion and Intersystem Crossing in Formaldehyde: A Global Coupled Quasi-Diabatic Hamiltonian for Its S, S, and T States. Journal of Chemical Theory and Computation |

Wang Y, Guan Y, Guo H, et al. (2021) Enabling complete multichannel nonadiabatic dynamics: A global representation of the two-channel coupled, 1,2A and 1A states of NH using neural networks. The Journal of Chemical Physics. 154: 094121 |

Guan Y, Xie C, Guo H, et al. (2020) Neural Network Based Quasi-diabatic Representation for S and S States of Formaldehyde. The Journal of Physical Chemistry. A |

Shen Y, Yarkony DR. (2020) Compact Bases for Vibronic Coupling in Spectral Simulations: The Photoelectron Spectrum of Cyclopentoxide in the Full 39 Internal Modes. The Journal of Physical Chemistry Letters |

Malbon CL, Zhao B, Guo H, et al. (2020) On the nonadiabatic collisional quenching of OH(A) by H: a four coupled quasi-diabatic state description. Physical Chemistry Chemical Physics : Pccp |

Shen Y, Yarkony DR. (2020) On the Construction of Quasi-Diabatic Hamiltonians That Accurately Represent Ab Initio Determined Adiabatic Electronic States Coupled by Conical Intersections for Systems With on the Order of 15 Atoms. Application to Cyclopentoxide Photoelectron Detachment in the Full 39 Degrees of Freedom. The Journal of Physical Chemistry. A |

Lischka H, Shepard R, Müller T, et al. (2020) The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics. 152: 134110 |