# John M. Herbert

## Affiliations: | Chemistry and Biochemistry | Ohio State University, Columbus, Columbus, OH |

##### Area:

Electronic structure theory and molecular quantum mechanics##### Website:

http://chemistry.osu.edu/faculty/herbert##### Google:

"John M. Herbert"##### Bio:

http://chemistry.osu.edu/~herbert/

http://chemistry.osu.edu/~herbert/bio.html

## Mean distance: 8.51 | S | N | B | C | P |

#### Parents

Sign in to add mentorJohn Edward Harriman | grad student | 2003 | UW Madison | |

(Reconstructive approaches to one-and two-electron density matrix theory) | ||||

Anne B. McCoy | post-doc | Ohio State | ||

Martin Head-Gordon | post-doc | 2006 | UC Berkeley |

#### Children

Sign in to add traineeAdrian W. Lange | grad student | 2012 | Ohio State |

Ryan M. Richard | grad student | 2013 | Ohio State |

Xing Zhang | grad student | 2011-2016 |

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#### Publications

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Rana B, Herbert JM. (2020) Role of hemibonding in the structure and ultraviolet spectroscopy of the aqueous hydroxyl radical. Physical Chemistry Chemical Physics : Pccp |

Aksu H, Paul SK, Herbert JM, et al. (2020) How Well Does a Solvated Octa-acid Capsule Shield the Embedded Chromophore? A Computational Analysis Based on an Anisotropic Dielectric Continuum Model. The Journal of Physical Chemistry. B. 124: 6998-7004 |

Stein CJ, Herbert JM, Head-Gordon M. (2019) The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients. The Journal of Chemical Physics. 151: 224111 |

Liu KY, Herbert JM. (2019) Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry. Journal of Chemical Theory and Computation |

Paul SK, Coons MP, Herbert JM. (2019) Erratum: "Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface" [J. Chem. Phys. 148, 222834 (2018)]. The Journal of Chemical Physics. 151: 189901 |

Dasgupta S, Rana B, Herbert JM. (2019) Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated Electron. The Journal of Physical Chemistry. B |

Liu KY, Carter-Fenk K, Herbert JM. (2019) Self-consistent charge embedding at very low cost, with application to symmetry-adapted perturbation theory. The Journal of Chemical Physics. 151: 031102 |

Liu J, Rana B, Liu KY, et al. (2019) Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics. The Journal of Physical Chemistry Letters. 3877-3886 |

Fenk K, Lao KU, Liu KY, et al. (2019) Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion. The Journal of Physical Chemistry Letters |

Holden ZC, Rana B, Herbert JM. (2019) Analytic gradient for the QM/MM-Ewald method using charges derived from the electrostatic potential: Theory, implementation, and application to ab initio molecular dynamics simulation of the aqueous electron. The Journal of Chemical Physics. 150: 144115 |