ARPACK users' guide: solution of large-scale eigenvalue problems with implicitly restarted Arnoldi methods RB Lehoucq, DC Sorensen, C Yang Society for Industrial and Applied Mathematics, 1998 | 4294 | 1998 |

NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 561 | 2020 |

SPARX, a new environment for Cryo-EM image processing M Hohn, G Tang, G Goodyear, PR Baldwin, Z Huang, PA Penczek, ... Journal of structural biology 157 (1), 47-55, 2007 | 438 | 2007 |

*GW*100: Benchmarking *G*_{0}*W*_{0} for Molecular SystemsMJ Van Setten, F Caruso, S Sharifzadeh, X Ren, M Scheffler, F Liu, ... Journal of chemical theory and computation 11 (12), 5665-5687, 2015 | 362 | 2015 |

Highly efficient photocatalytic water splitting over edge-modified phosphorene nanoribbons W Hu, L Lin, R Zhang, C Yang, J Yang Journal of the American Chemical Society 139 (43), 15429-15436, 2017 | 277 | 2017 |

NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 215 | 2020 |

Alternating direction methods for classical and ptychographic phase retrieval Z Wen, C Yang, X Liu, S Marchesini Inverse Problems 28 (11), 115010, 2012 | 212 | 2012 |

Hamiltonian light-front field theory in a basis function approach JP Vary, H Honkanen, J Li, P Maris, SJ Brodsky, A Harindranath, ... Physical Review C—Nuclear Physics 81 (3), 035205, 2010 | 204 | 2010 |

Edge-modified phosphorene nanoflake heterojunctions as highly efficient solar cells W Hu, L Lin, C Yang, J Dai, J Yang Nano letters 16 (3), 1675-1682, 2016 | 195 | 2016 |

Approximating spectral densities of large matrices L Lin, Y Saad, C Yang SIAM review 58 (1), 34-65, 2016 | 177 | 2016 |

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters F Bruneval, T Rangel, SM Hamed, M Shao, C Yang, JB Neaton Computer Physics Communications 208, 149-161, 2016 | 173 | 2016 |

Severe multiple contingency screening in electric power systems V Donde, V López, B Lesieutre, A Pinar, C Yang, J Meza IEEE Transactions on Power Systems 23 (2), 406-417, 2008 | 163 | 2008 |

Estimation of variance in single-particle reconstruction using the bootstrap technique PA Penczek, C Yang, J Frank, CMT Spahn Journal of structural biology 154 (2), 168-183, 2006 | 150 | 2006 |

Scaling of ab-initio nuclear physics calculations on multicore computer architectures P Maris, M Sosonkina, JP Vary, E Ng, C Yang Procedia Computer Science 1 (1), 97-106, 2010 | 149 | 2010 |

SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix L Lin, C Yang, JC Meza, J Lu, L Ying, W E ACM Transactions on Mathematical Software (TOMS) 37 (4), 1-19, 2011 | 125 | 2011 |

KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations C Yang, JC Meza, B Lee, LW Wang ACM Transactions on Mathematical Software (TOMS) 36 (2), 1-35, 2009 | 124 | 2009 |

ARPACK Users’ Guide: Solution of Large-Scale Eigenvalue Problems with Implicitly Restarted Arnoldi Methods, SIAM, Philadelphia, 1998 RB Lehoucq, DC Sorensen, C Yang The software and this manual are available at URL http://www. caam. rice …, 1989 | 118 | 1989 |

Optimizing sparse matrix-multiple vectors multiplication for nuclear configuration interaction calculations HM Aktulga, A Buluç, S Williams, C Yang 2014 IEEE 28th International Parallel and Distributed Processing Symposium …, 2014 | 112 | 2014 |

Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion L Lin, M Chen, C Yang, L He Journal of Physics: Condensed Matter 25 (29), 295501, 2013 | 105 | 2013 |

Automatic alignment and reconstruction of images for soft X-ray tomography DY Parkinson, C Knoechel, C Yang, CA Larabell, MA Le Gros Journal of structural biology 177 (2), 259-266, 2012 | 102 | 2012 |