Spin–phonon interactions in silicon carbide addressed by Gaussian acoustics SJ Whiteley, G Wolfowicz, CP Anderson, A Bourassa, H Ma, M Ye, ... Nature Physics 15 (5), 490-495, 2019 | 216 | 2019 |

Entanglement and control of single nuclear spins in isotopically engineered silicon carbide A Bourassa, CP Anderson, KC Miao, M Onizhuk, H Ma, AL Crook, H Abe, ... Nature Materials 19 (12), 1319-1325, 2020 | 125 | 2020 |

Quantum simulations of materials on near-term quantum computers H Ma, M Govoni, G Galli npj Computational Materials 6 (1), 85, 2020 | 107 | 2020 |

Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies H Seo, H Ma, M Govoni, G Galli Physical Review Materials 1 (7), 075002, 2017 | 56 | 2017 |

Quantum embedding theory for strongly correlated states in materials H Ma, N Sheng, M Govoni, G Galli Journal of Chemical Theory and Computation 17 (4), 2116-2125, 2021 | 50 | 2021 |

Probing the coherence of solid-state qubits at avoided crossings M Onizhuk, KC Miao, JP Blanton, H Ma, CP Anderson, A Bourassa, ... PRX Quantum 2 (1), 010311, 2021 | 40 | 2021 |

Finite-field approach to solving the Bethe-Salpeter equation NL Nguyen, H Ma, M Govoni, F Gygi, G Galli Physical review letters 122 (23), 237402, 2019 | 34 | 2019 |

All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids K Ghosh, H Ma, V Gavini, G Galli Physical Review Materials 3 (4), 043801, 2019 | 33 | 2019 |

A Finite-Field Approach for *GW* Calculations beyond the Random Phase ApproximationH Ma, M Govoni, F Gygi, G Galli Journal of chemical theory and computation 15 (1), 154-164, 2018 | 23 | 2018 |

Negative isotope effect for charge transport in acenes and derivatives–a theoretical conclusion Y Jiang, Q Peng, H Geng, H Ma, Z Shuai Physical Chemistry Chemical Physics 17 (5), 3273-3280, 2015 | 22 | 2015 |

First-principles studies of strongly correlated states in defect spin qubits in diamond H Ma, N Sheng, M Govoni, G Galli Physical Chemistry Chemical Physics 22 (44), 25522-25527, 2020 | 21 | 2020 |

Evolving symbolic density functionals H Ma, A Narayanaswamy, P Riley, L Li Science Advances 8 (36), eabq0279, 2022 | 19 | 2022 |

Computational kinetics by variational transition-state theory with semiclassical multidimensional tunneling: direct dynamics rate constants for the abstraction of H from CH3OH … R Meana-Pañeda, X Xu, H Ma, DG Truhlar The Journal of Physical Chemistry A 121 (8), 1693-1707, 2017 | 16 | 2017 |

First-principles predictions of out-of-plane group IV and V dimers as high-symmetry, high-spin defects in hexagonal boron nitride J Bhang, H Ma, D Yim, G Galli, H Seo ACS Applied Materials & Interfaces 13 (38), 45768-45777, 2021 | 14 | 2021 |

PyZFS: A Python package for first-principles calculations of zero-field splitting tensors H Ma, M Govoni, G Galli Journal of Open Source Software 5 (47), 2160, 2020 | 14 | 2020 |

Spin–spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations K Ghosh, H Ma, M Onizhuk, V Gavini, G Galli npj Computational Materials 7 (1), 123, 2021 | 10 | 2021 |

PyCDFT: A Python package for constrained density functional theory H Ma, W Wang, S Kim, MH Cheng, M Govoni, G Galli Journal of Computational Chemistry 41 (20), 1859-1867, 2020 | 10 | 2020 |

Npj Comput H Ma, M Govoni, G Galli Mater 6, 85, 2020 | 7 | 2020 |

Viewpoints on the 2020 Virtual Conference on Theoretical Chemistry RJ DiRisio, CM Jones, H Ma, BJG Rousseau The Journal of Physical Chemistry A 124 (43), 8875-8883, 2020 | 2 | 2020 |

Imaging the Meissner effect and flux trapping in a hydride superconductor at megabar pressures using a nanoscale quantum sensor P Bhattacharyya, W Chen, X Huang, S Chatterjee, B Huang, B Kobrin, ... arXiv preprint arXiv:2306.03122, 2023 | 1 | 2023 |