Electronic structure calculations with dynamical mean-field theory G Kotliar, SY Savrasov, K Haule, VS Oudovenko, O Parcollet, ... Reviews of Modern Physics 78 (3), 865, 2006 | 2880 | 2006 |

First-principles prediction of redox potentials in transition-metal compounds with LDA+ U F Zhou, M Cococcioni, CA Marianetti, D Morgan, G Ceder Physical Review B 70 (23), 235121, 2004 | 1141 | 2004 |

Nonlinear elastic behavior of two-dimensional molybdenum disulfide RC Cooper, C Lee, CA Marianetti, X Wei, J Hone, JW Kysar Physical Review B 87 (3), 035423, 2013 | 570 | 2013 |

Nonlinear elastic behavior of graphene: Ab initio calculations to continuum description X Wei, B Fragneaud, CA Marianetti, JW Kysar Physical Review B 80 (20), 205407, 2009 | 478 | 2009 |

Site-Selective Mott Transition in Rare-Earth-Element Nickelates H Park, AJ Millis, CA Marianetti Physical review letters 109 (15), 156402, 2012 | 339 | 2012 |

First-principles study of the stability and electronic structure of metal hydrides H Smithson, CA Marianetti, D Morgan, A Van der Ven, A Predith, G Ceder Physical Review B 66 (14), 144107, 2002 | 261 | 2002 |

Phase separation in Li x FePO 4 induced by correlation effects F Zhou, CA Marianetti, M Cococcioni, D Morgan, G Ceder Physical Review B 69 (20), 201101, 2004 | 252 | 2004 |

Phase transformations and volume changes in spinel Li< i> x</i> Mn< sub> 2</sub> O< sub> 4</sub> A Van der Ven, C Marianetti, D Morgan, G Ceder Solid State Ionics 135 (1), 21-32, 2000 | 227 | 2000 |

Failure mechanisms of graphene under tension CA Marianetti, HG Yevick Physical review letters 105 (24), 245502, 2010 | 219 | 2010 |

A first-order Mott transition in LixCoO2 CA Marianetti, G Kotliar, G Ceder Nature materials 3 (9), 627-631, 2004 | 210 | 2004 |

Approaching the intrinsic limit in transition metal diselenides via point defect control D Edelberg, D Rhodes, A Kerelsky, B Kim, J Wang, A Zangiabadi, C Kim, ... Nano letters 19 (7), 4371-4379, 2019 | 202 | 2019 |

S= 1/2 chains and spin-Peierls transition in TiOCl A Seidel, CA Marianetti, FC Chou, G Ceder, PA Lee Physical Review B 67 (2), 020405, 2003 | 193 | 2003 |

Three-dimensional metallic and two-dimensional insulating behavior in octahedral tantalum dichalcogenides CAM P. Darancet, A.J. Millis Phys. Rev. B 90, 045134, 2014 | 168 | 2014 |

First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions CA Marianetti, D Morgan, G Ceder Physical Review B 63 (22), 224304, 2001 | 123 | 2001 |

Dynamical Mean-Field Theory of Nickelate Superlattices MJ Han, X Wang, CA Marianetti, AJ Millis Physical Review Letters 107 (20), 206804, 2011 | 122 | 2011 |

Signatures of the topological s+− superconducting order parameter in the type-II Weyl semimetal T d-MoTe 2 Z Guguchia, F Rohr, Z Shermadini, AT Lee, S Banerjee, AR Wieteska, ... Nature communications 8 (1), 1082, 2017 | 121 | 2017 |

Total energy calculations using DFT+DMFT: computing the pressure phase diagram of the rare earth nickelates CAM H. Park, A.J. Millis Phys. Rev. B 89, 245133, 2014 | 108 | 2014 |

Electronic coherence in δ-Pu: A dynamical mean-field theory study CA Marianetti, K Haule, G Kotliar, MJ Fluss Physical review letters 101 (5), 056403, 2008 | 105 | 2008 |

Computing total energies in complex materials using charge self-consistent DFT+DMFT CAM H. Park, A.J. Millis Phys. Rev. B 90, 235103, 2014 | 101 | 2014 |

Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides X Wang, MJ Han, L de'Medici, H Park, CA Marianetti, AJ Millis Physical Review B 86 (19), 195136, 2012 | 101 | 2012 |