{"id":97,"date":"2019-04-30T01:45:53","date_gmt":"2019-04-30T01:45:53","guid":{"rendered":"https:\/\/sites.krieger.jhu.edu\/cheng\/?page_id=97"},"modified":"2025-08-12T10:49:50","modified_gmt":"2025-08-12T10:49:50","slug":"cv-cheng","status":"publish","type":"page","link":"https:\/\/sites.krieger.jhu.edu\/cheng\/cv-cheng\/","title":{"rendered":"Curriculum vitae of Lan  Cheng"},"content":{"rendered":"<h2><b>Employment<\/b><\/h2>\n<ul>\n<li>Associate Professor, Johns Hopkins University (since Jan. 2023)<\/li>\n<li>Assistant Professor, Johns Hopkins University (Jan. 2016 \u2013 Dec. 2022)<\/li>\n<\/ul>\n<h2><b>Education and career preparation<\/b><\/h2>\n<ul>\n<li>Postdoctoral researcher, University of Texas at Austin (Nov. 2011 \u2013 Dec. 2015) \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Adviser: Professor John Stanton<\/li>\n<li>Postdoctoral researcher, University of Mainz (Oct. 2009 \u2013 Oct. 2011) \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Adviser: Professor J\u00fcrgen Gauss<\/li>\n<li>Ph.D. in Theoretical Chemistry, Peking University (Jul. 2009) \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <span>Thesis: Four-component relativistic theory for NMR parameters (Sept. 2004 \u2013 Jul. 2009) \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <\/span><span>Adviser: Professor Wenjian Liu<\/span><\/li>\n<\/ul>\n<ul>\n<li>Research assistant, Tsinghua University (Sept. 2001 \u2013 Jun. 2004) \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <span>Adviser: Professor Yadong Li<\/span><\/li>\n<\/ul>\n<ul>\n<li>B.S. in Chemistry, Tsinghua University (Jul. 2001)<span class=\"Apple-converted-space\">\u00a0<\/span><\/li>\n<\/ul>\n<h2>Research interests<\/h2>\n<p>&#8211; &#8211; Relativistic quantum chemistry<\/p>\n<p>&#8211; &#8211; Electron-correlation methods<\/p>\n<p>&#8211; &#8211; Computational molecular spectroscopy<\/p>\n<h2>Publications:<\/h2>\n<p><b>2025<\/b><b><\/b><\/p>\n<p>103. Xing Fan* and Lan Cheng \u201cEffect of Nuclear Electric Quadrupole Moment on Parity Doublets in Molecules\u201d, <i>Phys. Rev. A accepted<\/i> (2025).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>102. Yuqi Song, Chana Honick, Grant Hall, Xubo Wang, Sayak Panda, Rachel Dziatko, Luke O&#8217;Connor, Lan Cheng, John Tovar, Arthr Bragg* \u201cSequence-dependent generation of pancake \u03c0-dimer anions with peptide-flanked perylene diimides\u201d, <i>submitted<\/i> (2025).<\/p>\n<p>101. Kia Boon Ng*, Sun Yool Park, Anzhou Wang, Addison, Hartman, Patricia Hector Hernandez, Rohan Kompella, Lan Cheng, Stephan Malbrunot-Ettenauer, Jun Ye, and Eric A. Cornell \u201cHigh-Efficiency Quantum-State Detection of ThF<sup>+<\/sup> with Resonance-Enhanced Multiphoton Asymmetric Dissociation\u201d, <i>Phys. Rev. A. under review<\/i> (2025).<\/p>\n<p>100. Jacek Klos, Eite Tiesinga, Lan Cheng, and Svetlana Kotochigova* \u201cUnconventional Chemical Bonding of Lanthanide-OH Molecules\u201d, <i>Scientific Report, accepted<\/i> (2025).<\/p>\n<p>99. Kameron Mehling, Justin J. Buran, Logan E. Hillberry, Mengjie Chen, Parul Aggarwal, Lan Cheng, Jun Ye, and Simon Scheidegger* \u201cNarrowline Laser Cooling and Spectroscopy of Molecules via Stark States\u201d, <i>Phys. Rev. X under review<\/i> (2025).<\/p>\n<p>98. Xubo Wang, Chaoqun Zhang, and Lan Cheng* \u201cRelativistic Two-Electron Contributions within Exact Two-Component Theory\u201d, <i>Chem. Phys. Rev. in revision<\/i> (2025).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>97. Kai Li*, Christian Ott, Marcus Agaker, Phay J. Ho, Alexander Magunia, Marc Rebholz, Marc Simon, Tommaso Mazza, Alberto De Fanis, Thomas M. Baumann, Sergey Usenko, Yevheniy Ovcharenko, K. Chordiya, Lan Cheng, Jan-Erik Rubensson, Michael Meyer, Thomas Pfeifer, Mette B. Gaarde, and Linda Young* \u201cSuper-resolution Stimulated X-ray Raman Spectroscopy\u201d, <i>Nature, accepted<\/i> (2025).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>96. Xubo Wang, Gilles Doumy, Anne Marie March, Christopher Otolski, Richard E. Wilson, Donald A. Walko, and Lan Cheng, Stephen H. Southworth* \u201cX-ray Spectroscopy Across the L<sub>3<\/sub> Edges of Uranium Compounds\u201d, <i>J. Phys. B <\/i><b>58<\/b>, 045602<i> <\/i>(2025).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>95. Arianna Rodriguez, Jiande Han, Jiarui Yan, Michael C. Heaven*, and Lan Cheng \u201cElectronic Spectroscopy and Excited State Mixing of OThF\u201d, <i>J. Chem. Phys.<\/i>\u00a0<b>162<\/b>, 024305 (2025).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p><b>2024<\/b><span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>94. Burak A. Tufekci, Tatsuya Chiba, Jinheng Xu, Lan Cheng*, and Kit H. Bowen* \u201cActivation of H<sub>2<\/sub>O by ThO<sub>2<\/sub><sup>&#8211;<\/sup>: Experimental and Computational Studies\u201d, <i>J. Phys. Chem. A.<\/i> <b>129<\/b>, 76-81 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>93. Burak A. Tufekci, K. Foreman, J. G. F. Romeu, D. A. Dixon*, K. A. Peterson*, Lan Cheng*, and Kit H. Bowen* \u201cAnion Photoelectron Spectroscopy and <i>ab-initio<\/i> Studies of the UF<sup>&#8211;<\/sup> Anion\u201d, <i>J. Phys. Chem. Lett. <\/i><b>15<\/b>, 11932-11938 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>92. K. Cooper Stuntz, Kendall L. Rice, Lan Cheng, and Benjamin L. Augenbraun* \u201cOptical Cycling and Sensitivity to the Electron\u2019s Electric Dipole Moment in Gold-Containing Molecules, AuX (X=C, Si, Ge, Sn, and Pb)\u201d, <i>Phys. Rev.<\/i> <i>A<\/i> <b>110<\/b>, 042807 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>91. Alexander Frenett*, Zack Lasner, Lan Cheng, and John M. Doyle, \u201cVibrational Branching Ratios for Laser-Cooling of Nonlinear Strontium-Containing Molecules\u201d, <i>Phys. Rev. A <\/i><b>110<\/b>, 022811 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>90. Zhe Lin, Junzi Liu, Chaoqun Zhang, Xuechen Zheng, and Lan Cheng*, \u201cElucidating Anomalous Intensity Ratios in Chlorine L-Edge X-Ray Absorption Spectroscopy: Multiplet Effects and Core-Rydberg Transitions\u201d, <i>J. Phys. Chem. A.<\/i> <b>128<\/b>, 8373-8383 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>89. Chaoqun Zhang*, Kirk A. Peterson, Kenneth G. Dyall, and Lan Cheng, \u201cA New Computational Framework for Spinor-Based Relativistic Exact Two-Component Calculations Using Contracted Basis Functions\u201d, <i>J. Chem. Phys.<\/i>\u00a0<b>161<\/b>, 054105 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>88. Tianxiang Chen, Chaoqun Zhang, Lan Cheng*, Kia Boon Ng*, Stephan Malbrunot-Ettenauer, Victor V. Flambaum, Zack Lasner*, John M. Doyle, Phelan Yu, Chandler J. Conn, Chi Zhang, Nicholas R. Hutzler*, Andrew M. Jayich, Benjamin Augenbraun, and David DeMille, \u201cRelativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments\u201d, <i>J. Phys. Chem. A.<\/i> <b>128<\/b>, 6540-6554 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>87. A. E. A. Fouda, V. Lindblom, S. H. Southworth, G. Doumy, L. Cheng, P. J. Ho, L. Young, S. L. Sorensen* \u201cThe Influence of Selective C 1s Excitation on Auger-Meitner Decay in the ESCA Molecule\u201d, <i>J. Phys. Chem. Lett. <\/i><b>15<\/b>,<i> <\/i>4286-4293 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>86. C. Zhang*, P. Lipparani, S. Stopkowicz, J. Gauss, L. Cheng, \u201cA Cholesky Decomposition-based Implementation of Spinor-based Relativistic Coupled-Cluster Methods for Medium-Sized Molecules\u201d,<i> J. Chem. Theory &amp; Comput. <\/i><b>20<\/b>,<i> <\/i>787-798 (2024).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p><b>2023<\/b><span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>85. C. Zhang, X. Zheng, J. Liu, A. Asthana, L. Cheng*, \u201cAnalytic Gradients for Spinor-Based Relativistic Equation-of-Motion Coupled-Cluster Singles and Doubles Method\u201d, <i>J. Chem. Phys. <\/i><b>159<\/b>,<i> <\/i>244113 (2023).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>84. C. Zhang, P. Yu, C. J. Chandler, N. R. Hutzler*, L. Cheng*, \u201cRelativistic Coupled-Cluster Calculations of RaOH Pertinent to Spectroscopic Detection and Laser Cooling\u201d,<i> Phys. Chem. Chem. Phys. <\/i><b>25<\/b>,<i> <\/i>32613-32621 (2023).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>83. Z. Lin, C. Zhang, L. Cheng*, \u201cComparison of State-Interaction and Spinor-Representation Calculations of Spin-Orbit Coupling Within Exact Two-Component Coupled-Cluster Theories\u201d, <i>Mol. Phys. <\/i>e2256423 (2023).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>82. Q. Sun, C. Dickerson, J. Dai, I. Pope, L. Cheng, D. Neuhauser, A. Alexandrova, D. Mitra*, T. Zelevinsky, \u201cProbing the Limits of Optical Cycling in a Predissociative Diatomic Molecule\u201d, <i>Phys. Rev. Res. <\/i><b>5<\/b>, 043070 (2023).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>81. C. Zhang*, N. R. Hutzler, L. Cheng, \u201cIntensity-Borrowing Mechanisms Pertinent to Laser Cooling of Linear Polyatomic Molecules\u201d, <i>J. Chem. Theory &amp; Comput. <\/i><b>19<\/b>, 4136-4148 (2023).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>80. N. B. Vilas*, C. Hallas, L. Anderegg, P. Robichaud, C. Zhang, S. Dawley, L. Cheng, J. M. Doyle, \u201cBlackbody Thermalization and Vibrational Lifetimes of Trapped Polyatomic Molecules\u201d, <i>Phys. Rev. A <\/i><b>107<\/b>, 062802 (2023).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>79. L. Cheng* \u201cRelativistic Effects from Coupled-Cluster Theory\u201d, in <i>Comprehensive Computational Chemistry<\/i>, Edited by Kenneth Ruud, <i>et al<\/i>, Elsevier<i> <\/i>(2023).<\/p>\n<p>78. P. Ho*, D. Ray, C. Lehmann, A. Fouda, R. Dunford, E. Kanter, G. Doumy, L. Young, D. Walko, X. Zheng, L. Cheng, S. Southworth \u201cX-ray Induced Electron and Ion Fragmentation Dynamics in IBr\u201d <i>J. Chem. Phys. <\/i><b>158<\/b>, 134304<i> <\/i>(2023).<\/p>\n<p>77. C. Hallas*, N. B. Vilas, L. Anderegg, P. Robichaud, A. Winnicki, C. Zhang, L. Cheng, J. M. Doyle \u201cOptical Trapping of a Polyatomic Molecule in an<i> \u2113<\/i>-Type Parity Doublet State\u201d <i>Phys. Rev. Lett. <\/i><b>130<\/b>, 153202<i> <\/i>(2023).<\/p>\n<p><b>2022<\/b><span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>76. C. Zhang, L. Cheng* \u201cA Route to Chemical Accuracy for Computational Uranium Thermochemistry\u201d<i> J. Chem. Theory Comput. <\/i><b>18<\/b>, 6732-6741<i> <\/i>(2022).<\/p>\n<p>75. J. Schnabel, L. Cheng, A. K\u00f6hn* \u201cTowards High-Accuracy Rb<sub>2<\/sub><sup>+<\/sup> Interaction Potentials Based on Coupled Cluster Calculations\u201d <i>Phys. Rev. A<\/i> <b>106<\/b>, 032804 (2022).<\/p>\n<p>74. L. Cheng* \u201cRelativistic Exact Two-Component Coupled-Cluster Calculations of Electronic g-factors for Heavy-Atom-Containing Molecules Pertinent to Search of New Physics\u201d <i>Mol. Phys. <\/i>e2113567 (2022).<\/p>\n<p>73. Z. Lasner*, A. Lunstad, C. Zhang, L. Cheng, J. M. Doyle \u201cVibronic Branching Ratios for Nearly-Closed Rapid Photon Cycling of SrOH\u201d <i>Phys. Rev. A.<\/i> <b>106<\/b>, L020801 (2022).<\/p>\n<p>72. M. C. Babin, M. Dewitt, J. Lau, M. L. Weichman, J. B. Kim, L. Cheng*, D. M. Neumark* \u201cPhotoelectron spectrum of cryogenically cooled NiO<sub>2<\/sub>\u00af via slow photoelectron velocity-map imaging\u201d<i> Phys. Chem. Chem. Phys. <\/i><b>24<\/b><i>, <\/i>17496-17503<i> <\/i>(2022).<\/p>\n<p>71. C. Zhang, L. Cheng* \u201cAn Atomic Mean-Field Approach Within Exact Two-Component Theory Based on the Dirac-Coulomb-Breit Hamiltonian\u201d <i>J. Phys. Chem. A. <\/i><b>126<\/b><i>, <\/i>4537-4553 (2022).<\/p>\n<p>70. X. Zheng, C. Zhang, Z. Jin, S. H. Southworth, L. Cheng* \u201cBenchmark Relativistic Delta-Coupled-Cluster Calculations of K-Edge Core-Ionization Energies for Third-Row Elements\u201d <i>Phys. Chem. Chem. Phys. <\/i><b>24<\/b>, 13587-13596 (2022).<\/p>\n<p>69. X. Zheng, C. Zhang, J. Liu, L. Cheng* \u201cGeometry Optimizations with Spinor-Based Relativistic Coupled-Cluster Theory\u201d<i> J. Chem. Phys. <\/i><b>156<\/b><i>, <\/i>151101 (2022) [Communication].<\/p>\n<p>68. C. Zhang, C. Zhang, L. Cheng, T. C. Steimle, M. R. Tarbutt* \u201cInner-Shell Excitation in the YbF Molecule and its Impact on Laser Cooling\u201d<i> J. Mol. Spectrosc. <\/i><b>386<\/b><i>, <\/i>111625 (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>67. J. Liu, D. Matthews, L. Cheng* \u201cQuadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Calculations, and Formulation of an Extended Version.\u201d <i>J. Chem. Theory Comput. <\/i><b>18<\/b><i>, <\/i>2281-2291 (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>66. K. B. Ng, Y. Zhou, L. Cheng, N. Schlossberger, S. Y. Park, T. S. Roussy, Y. Shagam, A. J. Vigil, E. A. Cornell*, J. Ye* \u201cSpectroscopy on the eEDM-sensitive states on ThF<sup>+<\/sup>.\u201d<i> Phys. Rev. A <\/i><b>105<\/b>, 022823 (2022) [Editors\u2019 suggestion].<\/p>\n<p><b>2021<\/b><span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>65. R. P. Brady, C. Zhang, J. R. DeFrancisco, B. J. Barrett, L. Cheng, A. E. Bragg* \u201cMultiphoton Control of 6<b> <\/b>Photocyclization via State-Dependent Reactant-Product Correlations.\u201d<i> J. Phys. Chem. Lett. <\/i><b>12<\/b>, 9493-9500 (2021).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>64. M. C. Babin, M. Dewitt, J. A. Devine, D. C. McDonald II, S. G. Ard, N. S. Shuman, A. A. Viggiano, L. Cheng, D. M. Neumark* \u201cElectronic Structure of NdO via slow photoelectron velocity-map imaging spectroscopy of NdO<sup>&#8211;<\/sup>.\u201d <i>J. Chem. Phys. <\/i><b>155<\/b>, 114305 (2021).<\/p>\n<p>63. J. Liu and L. Cheng* \u201cUnitary Coupled-Cluster Based Self-Consistent Polarization Propagator Theory: A Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme.\u201d <i>J. Chem. Phys. <\/i><b>155<\/b>, 174102 (2021).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>62. J. Schnabel, L. Cheng, and A. K\u00f6hn* \u201cLimitations of coupled cluster approximations for highly accurate investigations of Rb<sub>2<\/sub><sup>+<\/sup>.\u201d <i>J. Chem. Phys.<\/i> <b>155<\/b>, 124101 (2021).<\/p>\n<p>61. C. Zhang, B. L. Augenbraun*, Z. D. Lasner, N. B. Vilas, J. M. Doyle, and L. Cheng* \u201cAccurate prediction and measurement of vibronic branching ratios for laser cooling polyatomic molecules.\u201d <i>J. Chem. Phys. <\/i><b>155<\/b>, 091101<i> <\/i>(2021) [Communication].<\/p>\n<p>60. C. Zhang, X. Zheng, and L. Cheng* \u201cCalculations of Time-Reversal Symmetry Violation Sensitivity Parameters Based on Relativistic Coupled-Cluster Analytic-Gradient Theory.\u201d <i>Phys. Rev. A <\/i><b>104<\/b>, 012814<i> <\/i>(2021).<\/p>\n<p>59. M. Marshall, Z. Zhu, J. Liu, K. H. Bowen, and L. Cheng* \u201cAnion Photoelectron Spectroscopic and Relativistic Coupled-Cluster Studies of the Uranyl Dichloride Anion, UO<sub>2<\/sub>Cl<sub>2<\/sub><sup>&#8211;<\/sup>.\u201d <i>J. Mol. Spectrosc. <\/i><b>379<\/b>, 111496<i> <\/i>(2021).<\/p>\n<p>58. J. Liu and L. Cheng* \u201cRelativistic Coupled-Cluster and Equation-of-Motion Coupled-Cluster Methods.\u201d <i>WIRES Mol. Sci. e1536,<\/i> https:\/\/doi.org\/10.1002\/wcms.1536 (2021).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>57. M. Marshall, Z. Zhu, J. Liu, L. Cheng*, and K. H. Bowen* \u201cPhotoelectron Spectroscopic and <i>ab initio<\/i> Computational Studies of the Anion, HThO<sup>&#8211;<\/sup>.\u201d <i>J. Phys. Chem. A <\/i><b>125<\/b>, 1903-1909 (2021).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>56. J. Liu, X. Zheng, A. Asthana, C. Zhang, and L. Cheng* \u201cAnalytic Evaluation of Energy First Derivatives for Spin-Orbit Coupled-Cluster Singles and Doubles Augmented with Noniterative Triples Method: General Formulation and An Implementation for First-Order Properties.\u201d <i>J. Chem. Phys.<\/i> <b>154<\/b>, 064110 (2021).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p><b>2020<\/b><\/p>\n<p>55. C. Zhang, H. Korslund, Yiwei Wu, S. Ding*, and L. Cheng* \u201cTowards Accurate Predictions for Laser-Coolable Molecules: Relativistic Coupled-Cluster Calculations for Yttrium Monoxide and Prospects for Improving its Laser Cooling Efficiencies.\u201d<i> Phys. Chem. Chem. Phys. <\/i><b>22<\/b>, 26167-26177 (2020).<\/p>\n<p>54. S. L. Sorensen, X. Zheng, S. H. Southworth, M. Patanen, E. Kokkonen, B. Oostenrijk, O. Travnikova, T. Marchenko, M. Simon, C. Bostedt, G. Doumy, L. Cheng, and L. Young* \u201cFrom Synchrotrons for XFELs: the soft x-ray near-edge spectrum of the ESCA molecule.\u201d <i>J. Phys. B <\/i><b>24<\/b>, 244011 (2020).<\/p>\n<p>53. G. Liu, C. Zhang, S. Ciborowski, A. Asthana, L. Cheng, and K. Bowen* \u201cMapping the Electronic Structure of Uranium (VI) Dinitride (UN<sub>2<\/sub>) Molecule.\u201d <i>J. Phys. Chem. A <\/i><b>124<\/b><i>, <\/i>6486-6492<i> <\/i>(2020).<\/p>\n<p>52. C. Zhang and L. Cheng* \u201cPerformance of an atomic mean-field spin-orbit approach within exact two-component theory for perturbative treatment of spin-orbit coupling.\u201d <i>Mol. Phys. <\/i><b>118<\/b>,<i> <\/i>e1768313 (2020).<\/p>\n<p>51. D. A. Matthews, L. Cheng, M. E. Harding, F. Lipparini, S. Stopkowicz, T.-D. Jagua, P. G. Szalay, J. Gauss*, and J. F. Stanton \u201cCoupled cluster techniques for computational chemistry: the CFOUR program package.\u201d <i>J. Chem. Phys.<\/i> <b>152<\/b>, 214108 (2020).<\/p>\n<p>50. X. Zheng, J. Liu, G. Doumy*, L, Young, and L. Cheng* \u201cHetero-site double core ionization energies with sub-eV accuracy from delta-coupled-cluster calculations.\u201d <i>J. Phys. Chem. A<\/i> <b>124<\/b>, 4413-4426 (2020).<\/p>\n<p>49. E. T. Mengesha, A. T. Le, T. C. Steimle*, C. Zhang, L. Cheng, B. L. Augenbraun, Z. Lasner, and J. M. Doyle \u201cBranching ratios, radiative lifetimes and transition dipole moments for YbOH.\u201d <i>J. Phys. Chem. A<\/i> <b>124<\/b>, 3135-3148 (2020).<\/p>\n<p><b>2019<\/b><\/p>\n<p>48. L. Cheng* \u201cA study of non-iterative triples contributions in relativistic equation-of-motion coupled-cluster calculations using an exact two-component Hamiltonian with atomic mean-field spin-orbit integrals: Application to uranyl and other heavy-element compounds.\u201d <i>J. Chem. Phys.<\/i> <b>151<\/b>, 104103 (2019).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>47. X. Zheng, L. Cheng* \u201cPerformance of delta-coupled-cluster methods for calculations of core ionization energies of first-row elements.\u201d <i>J. Chem. Theory Comput. <\/i><b>15<\/b>, 4945 (2019).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>46. S. H. Southworth*, R. W. Dunford, D. Ray, E. P. Kanter, G. Doumy, A. M. March, P. J. Ho, B. Krassig, Y. Gao, C. S. Lehmann, A. Picon, L. Young, D. A. Walko, L. Cheng \u201cObserving pre-edge K-shell resonances in Kr, Xe, and XeF<sub>2.<\/sub>\u201d <i>Phys. Rev. A<\/i> <b>100<\/b>, 022507 (2019).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>45. F. Frati, F. de Groot, J. Cerezo, F. Santoro, L. Cheng, R. Faber, S. Coriani* \u201cCoupled cluster study of the K-edge X-ray absorption spectra of small molecules.\u201d <i>J. Chem. Phys.<\/i> <b>151<\/b>, 064107 (2019).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>44. J. P. Carbone, L. Cheng, R. H. Myhre, D. Matthews, H. Koch, S. Coriani* \u201cAn analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets.\u201d <i>Adv. Quantum Chem.<\/i> <b>79<\/b>, 241 (2019).<\/p>\n<p>43. Y.<span class=\"Apple-converted-space\">\u00a0 <\/span>Zhou, K. B. Ng, L. Cheng, D. N. Gresh, R. W. Field, J. Ye*, E. A. Cornell* \u201cVisible and ultraviolet laser spectroscopy of ThF.\u201d <i>J. Mol. Spectrosc.<\/i> <b>358<\/b>, 1-16 (2019).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>42. D.-T. Nguyen, T. Steimle*, C. Linton, and L. Cheng \u201cOptical Stark and Zeeman spectroscopy of thorium fluoride, ThF, Thorium Chloride, ThCl.\u201d <i>J. Phys. Chem. A<\/i> <b>123<\/b>, 1423-1433 (2019).<\/p>\n<p>41. J. Liu, D. Matthews, S. Coriani, and L. Cheng* \u201cBenchmark calculations of K-edge ionization energies for first-row elements using scalar-relativistic core-valence-separated equation-of-motion coupled-cluster methods.\u201d <i>J. Chem. Theory Comput.<\/i> <b>15<\/b>, 1642-1651 (2019).<\/p>\n<p>40. A. Asthana, J. Liu, and L. Cheng* \u201cExact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals.\u201d <i>J. Chem. Phys.<\/i> <b>150<\/b>, 074102 (2019).<\/p>\n<p><b>2016-2018<\/b><\/p>\n<p><span class=\"Apple-converted-space\">\u00a0<\/span>39. J. Liu, A. Asthana, L. Cheng*, D. Mukherjee \u201cUnitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications.\u201d <i>J. Chem. Phys. <\/i><b>148<\/b>, 244110 (2018).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p><span class=\"Apple-converted-space\">\u00a0<\/span>38. J. Liu, L. Cheng* \u201cAn atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling.\u201d <i>J. Chem. Phys<\/i>. <b>148<\/b>, 144108 (2018).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p><span class=\"Apple-converted-space\">\u00a0<\/span>37. R. H. Myhre, T. J. A. Wolf, L. Cheng, S. Nandi, S. Coriani, M. G\u00fchr, and H. Koch* \u201cA theoretical and experimental benchmark study of core-excited states in nitrogen.\u201d <i>J. Chem. Phys.<\/i> <b>148<\/b>, 064106 (2018).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>36. J. Liu, Y. Shen, A. Asthana, L. Cheng* \u201cTwo-component relativistic coupled-cluster methods using mean-field spin-orbit integrals.\u201d <i>J. Chem. Phys.<\/i> <b>148<\/b>, 034106 (2018).<\/p>\n<p>35. M. Gawrilow, H. Beckers, S. Riedel*, and L. Cheng \u201cMatrix-Isolation and quantum-chemical analysis of the C<sub>3v<\/sub> conformer of XeF<sub>6<\/sub>, XeOF<sub>4<\/sub>, and their acetonitrile adducts.\u201d <i>J. Phys. Chem. A<\/i> <b>122<\/b>, 119-129 (2018).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>34. L. Cheng*, F. Wang, J. F. Stanton, J. Gauss \u201cPerturbative treatment of spin-orbit coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods.\u201d <i>J. Chem. Phys.<\/i> <b>148<\/b>, 044108 (2018).<\/p>\n<p>33. T. C. Steimle*, D. L. Kokkin, C. Linton, and L. Cheng \u201cCharacterization of the [18.28] 0<sup>\u2212<\/sup> \u2013 <i>a<\/i><sup>3<\/sup>\u0394<sub>1<\/sub> (0,0) Band of Tantalum Nitride, TaN.\u201d <i>J. Chem. Phys.<\/i> <b>147<\/b>, 154304 (2017).<\/p>\n<p>32. R. Zhang, Y. Yu, T. C. Steimle*, and L. Cheng \u201cThe electric dipole moments in the ground states of gold oxide, AuO, and gold sulfide, AuS.\u201d <i>J. Chem. Phys.<\/i> <b>146<\/b>, 064307 (2017).<\/p>\n<p>31. M. L. Weichman, L. Cheng, J. B. Kim, J. F. Stanton, and D. M. Neumark* \u201cLow-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and K\u00f6ppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations.\u201d <i>J. Chem. Phys.<\/i> <b>146<\/b>, 224309 (2017).<\/p>\n<p>30. L. Cheng*, J. Gauss, B. Ruscic, P. B. Armentrout, and J. F. Stanton \u201cBond dissociation energies for diatomic molecules containing 3d transition metals: Benchmark scalar-relativistic coupled-cluster calculations for twenty molecules.\u201d <i>J. Chem. Theory Comput.<\/i> <b>13<\/b>, 1044-1056 (2017).<\/p>\n<p>29. X. Zhang*, S. P. Sander, L. Cheng, V. S. Thimmakondu, and J. F. Stanton \u201cMatrix-isolated infrared absorption spectrum of CH<sub>2<\/sub>IOO radical.\u201d <i>J. Phys. Chem. A<\/i> <b>120<\/b>, 260 (2016).<\/p>\n<p>28. X. Zhang*, S. P. Sander, L. Cheng, V. S. Thimmakondu, and J. F. Stanton \u201cMatrix-isolated infrared absorption spectrum of CH<sub>2<\/sub>BrOO radical.\u201d <i>Chem. Phys. Lett.<\/i> <b>657<\/b>, 131 (2016).<\/p>\n<p><b>Before JHU<span class=\"Apple-converted-space\">\u00a0<\/span><\/b><\/p>\n<p>27. L. Cheng* \u201cBenchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and relativistic coupled-cluster methods.\u201d <i>J. Chem. Phys<\/i>. <b>143<\/b>, 064301 (2015).<\/p>\n<p>26. L. Cheng*, J. Gauss, and J. F. Stanton \u201cRelativistic coupled-cluster calculations on XeF<sub>6<\/sub>: Delicate interplay between electron-correlation and basis-set effects.\u201d <i>J. Chem. Phys.<\/i> <b>142<\/b>, 224309 (2015).<\/p>\n<p>25. S. H. Southworth*, R. Wehlitz, A. Picon, C. S. Lehmann, L. Cheng and J. F. Stanton \u201cInner-shell photoionization and core-hole decay of Xe and XeF<sub>2<\/sub>.\u201d <i>J. Chem. Phys.<\/i> <b>142<\/b>, 224302 (2015).<\/p>\n<p>24. R. Zhang, T. C. Steimle*, L. Cheng and J. F. Stanton \u201cPermanent electric dipole moment of gold chloride, AuCl.\u201d <i>Mol. Phys.<\/i>, <b>113<\/b>, 2073 (2015).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>23. L. Cheng* and J. Gauss \u201cPerturbative treatment of spin-orbit coupling within spin-free exact two-component theory.\u201d <i>J. Chem. Phys.<\/i> <b>141<\/b>, 164107 (2014).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>22. L. Cheng, S. Stopkowicz, and J. Gauss* \u201cReview: Analytic energy derivatives in relativistic quantum chemistry.\u201d <i>Int. J. Quant. Chem.<\/i> <b>114<\/b>,1108 (2014).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>21. M. C. McCarthy, L. Cheng, K. N. Crabtree, O. Martinez, Jr., T. L. Nguyen, C.C. Womack, and J. F. Stanton* \u201cThe simplest Criegee Intermediate (H<sub>2<\/sub>C=O-O): Isotopic spectroscopy, equilibrium structure, and possible formation from atmospheric lightning.\u201d <i>J. Phys. Chem. Lett.<\/i> <b>4<\/b>, 4133 (2013).<\/p>\n<p>20. L. Cheng*, S. Stopkowicz, and J. Gauss \u201cSpin-free Dirac-Coulomb calculations augmented with a perturbative treatment of spin-orbit effects at the Hartree-Fock level.\u201d <i>J. Chem. Phys.<\/i> <b>139<\/b>, 214114 (2013).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>19. F. Wang, T. Steimle*, A. Adam, L. Cheng, and J. F. Stanton \u201cThe pure rotational spectrum of ruthenium monocarbide, RuC, and relativistic ab initio predictions.\u201d <i>J. Chem. Phys.<\/i> <b>139<\/b>, 174318 (2013).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>18. L. Cheng*, J. Gauss, and J. F. Stanton \u201cTreatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach.\u201d <i>J. Chem. Phys.<\/i> <b>139<\/b>, 054105 (2013).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>17. A. Le, T. C. Steimle*, M. D. Morse, M. A. Garcia, L. Cheng, and J. F. Stanton \u201cHyperfine interactions and electric dipole moments in the [16.0] 1.5(v=6), [16.0]3.5(v=7) and X<sup>2<\/sup>\u0394<sub>5\/2 <\/sub>states of iridium monosilicide, IrSi.\u201d <i>J. Phys. Chem. A<\/i>, <b>117<\/b>, 13292 (2013).<\/p>\n<p>16. R. Haunschild*, L. Cheng, D. Mukherjee, and W. Klopper* \u201cCommunication: Extension of a universal explicit electron correlation correction to general complete active spaces.\u201d <i>J. Chem. Phys.<\/i> <b>138<\/b>, 211101 (2013).<\/p>\n<p>15. S. Stopkowicz, L. Cheng, M. E. Harding, C. Puzzarini, and J. Gauss* \u201cThe bromine nuclear quadrupole moment revisited.\u201d <i>Mol. Phys.<\/i> <b>111<\/b>, 1382 (2013).<\/p>\n<p>14. L. Cheng*, S. Stopkowicz, and J. F. Stanton, and J. Gauss \u201cThe route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants.\u201d <i>J. Chem. Phys.<\/i> <b>137<\/b>, 224302 (2012).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>13. C. Puzzarini*, G. Cazzoli, J. C. Lopez, J. L. Alonso, A. Baldacci, A. Baldan, S. Stopkowicz, L. Cheng, and J. Gauss \u201cRotational spectra of rare isotopic species of fluoroiodomethane: Determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations.\u201d <i>J. Chem. Phys.<\/i> <b>137<\/b>, 024310 (2012).<\/p>\n<p>12. S. Mao, L. Cheng, W. Liu, and D. Mukherjee* \u201cA spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications.\u201d <i>J. Chem. Phys.<\/i> <b>136<\/b>, 024106 (2012).<\/p>\n<p>11. S. Mao, L. Cheng, W. Liu, and D. Mukherjee* \u201cA spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments.\u201d <i>J. Chem. Phys.<\/i> <b>136<\/b>, 024105 (2012).<\/p>\n<p>10. L. Cheng* and J. Gauss \u201cAnalytic second derivatives for the spin-free exact two-component theory.\u201d <i>J. Chem. Phys<\/i>. <b>135<\/b>, 244104 (2011).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>9. W. Schwalbach*, S. Stopkowicz, L. Cheng, and J. Gauss \u201cDirect perturbation theory in terms of energy derivatives: Scalar-relativistic treatment up to sixth order.\u201d <i>J. Chem. Phys. <\/i><b>135<\/b>, 194114 (2011).<\/p>\n<p>8. L. Cheng* and J. Gauss \u201cAnalytical energy gradients for the spin-free exact two-component theory using an exact block diagonalization for the one-electron Dirac Hamiltonian.\u201d <i>J. Chem. Phys.<\/i> <b>135<\/b>, 084114 (2011).<\/p>\n<p>7. L. Cheng* and J. Gauss \u201cAnalytical evaluation of first-order electrical properties based on the spin-free Dirac-Coulomb Hamiltonian.\u201d <i>J. Chem. Phys<\/i>. <b>134<\/b>, 244112 (2011).<\/p>\n<p>6. C. Puzzarini*, G. Cazzoli, J. C. Lopez, J. L. Alonso, A. Baldacci, A. Baldan, S. Stopkowicz, L. Cheng, and J. Gauss \u201cFourier-transform microwave and millimeter-wave spectroscopic investigation of CH<sub>2<\/sub>FI guided by quantum-chemical calculations.\u201d <i>J. Chem. Phys.<\/i> <b>134<\/b>, 174312 (2011).<\/p>\n<p>5. L. Cheng, Y. Xiao, and W. Liu* \u201cFour-component relativistic theory for nuclear magnetic shielding: magnetically balanced gauge-including atomic orbitals.\u201d <i>J. Chem. Phys.<\/i> <b>131<\/b>, 244113 (2009).<\/p>\n<p>4. Q. Sun, W. Liu*, Y. Xiao, and L. Cheng \u201cExact two-component relativistic theory for nuclear magnetic resonance parameters.\u201d <i>J. Chem. Phys. <\/i><b>131<\/b>, 081101 (2009).<\/p>\n<p>3. L. Cheng, Y. Xiao, and W. Liu* \u201cFour-component relativistic theory for NMR parameters: Unified formulation and numerical assessments of different approaches.\u201d <i>J. Chem. Phys.<\/i> <b>130<\/b>, 144102 (2009).<\/p>\n<p>2. D. Peng, W. Liu*, Y. Xiao, and L. Cheng \u201cMaking four- and two-component relativistic density functional methods fully equivalent based on the idea of \u2018from atoms to molecule\u2019.\u201d <i>J. Chem. Phys.<\/i> <b>127<\/b>, 104106 (2007).<\/p>\n<p>1. Y. Xiao, W. Liu*, L. Cheng, and D. Peng \u201cFour-component relativistic theory for nuclear magnetic shielding constants: Critical assessments of different approaches.\u201d <i>J. Chem. Phys.<\/i> <b>126<\/b>, 214101 (2007).<\/p>\n<h1>Presentations since JHU:<\/h1>\n<p><b>Invited talks in meetings and workshops<\/b><\/p>\n<p>\u201cComputational Study of Molecular Nuclear Schiff Moment Sensitivity Factors\u201d ITAMP workshop in Octupole-Deformed Nuclei, Institute of Theoretical Atomic Molecular and Optical Physics at Harvard, Boston, MA (Oct. 2024).<\/p>\n<p>\u201cComputational Study of Electronic States of ThF<sup>+<\/sup>\u201d Mini-Symposium on Quantum State Readout of ThF<sup>+<\/sup>, JILA, Boulder, CO (Sept. 2024).<\/p>\n<p>In \u201cSpectroscopy of Complex Molecular Systems\u201d at the annual meeting of the Canadian Society for Chemistry (CSC 2023), Vancouver, Canada (June 2023).<\/p>\n<p>\u201cRelativistic coupled-cluster techniques for actinide spectroscopy\u201d 2nd International Workshop on Theory Frontiers in Actinide Sciences: Chemistry and Materials, Santa Fe, NM (2023).<\/p>\n<p>\u201cRelativistic Coupled-Cluster Techniques with Molecular Applications\u201d 28th Austin Symposium on Molecular Structure and Dynamics at Dallas, Dallas, TX (2023).<\/p>\n<p>\u201cVibronic-Structure Calculations for laser-coolable polyatomic molecules\u201d ITAMP workshop in laser cooling of molecules, Institute of Theoretical Atomic Molecular and Optical Physics at Harvard, Boston, MA (2022).<\/p>\n<p>\u201cAnalytic-Gradient Techniques for Spinor-Based Relativistic Coupled-Cluster Methods\u201d in the 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics (REHE-2020\/2022), Assisi, Italy (2022).<\/p>\n<p>\u201cAnalytic Gradients for Spinor-Based Relativistic Coupled-Cluster Methods\u201d <i>OPERA2022, Operators, Perturbations, Electrons, Relativity, and Multi-Scale Applications<\/i> Symposium, Mainz, Germany (2022).<\/p>\n<p>\u201cUnitary Coupled-Cluster Based Excited State Methods\u201d <i>Quantum Chemistry: Current and Future Frontiers<\/i> Symposium, Fall 2022 ACS National Meeting, Chicago, IL, USA (2022).<\/p>\n<p>\u201cApproaching Heavy-Element Spectroscopy Using Spinor Representation\u201d <i>International Conference in Chemical Bonding<\/i>, Kauai, HI, USA (2022).<\/p>\n<p>\u201cCalculations of Vibronic Branching Ratios for Laser-Coolable Linear Polyatomic Molecules\u201d The <i>Spectroscopy and Dynamics on Multiple Potential Energy Surfaces<\/i> Workshop, Telluride, CO, USA (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cSpinor-Based Relativistic Coupled-Cluster Studies of Lanthanide Spectroscopy\u201d 29<sup>th<\/sup> Rare Earth Research Conference, Philadelphia, PA (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cExtending Accurate Quantum Chemistry to Heavy Elements\u201d The <i>Benchmarking in Spectroscopy<\/i> mini-symposium, 75th International Symposium on Molecular Spectroscopy, Champaign-Urbana, IL (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cRelativistic coupled-cluster techniques with applications to heavy-element spectroscopy\u201d Spring 2022 ACS National Meeting, San Diego, CA, USA (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cAnalytic gradients for relativistic coupled-cluster methods\u201d 61st Sanibel Symposium, St. Simons, GA, USA (2022).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cUnitary coupled-cluster based excited-state methods\u201d, <i>New Developments in Coupled-Cluster Theory<\/i> workshop, Telluride, CO, USA (2021).<\/p>\n<p>\u201cAdvances in relativistic coupled-cluster techniques\u201d, <i>New Frontiers in Electron Correlation<\/i> workshop, Telluride, CO, USA (2021).<\/p>\n<p>\u201cMean-field spin-orbit approaches for exact two-component theory: Two paradigms\u201d, <i>on the way of 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics (REHE-2020\/2022)<\/i>, virtual (2021).<\/p>\n<p>\u201cExact two-component coupled-cluster methods using atomic mean-field spin-orbit integrals\u201d, <i>Molecular Quantum Mechanics<\/i>, Heidelberg, Germany (2019).<\/p>\n<p>\u201cExact two-component coupled-cluster methods using atomic mean-field spin-orbit integrals\u201d, <i>New Frontiers in Electron Correlation<\/i> workshop, Telluride, CO, USA (2019).<\/p>\n<p>\u201cAccurate calculations of spin-orbit coupling in metal-containing molecules\u201d, <i>Spectroscopy and Dynamics on Multiple Potential Energy Surfaces<\/i> workshop, Telluride, CO, USA (2018).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cRelativistic two-component coupled-cluster methods using mean-field spin-orbit integrals\u201d, <i>New Developments in Coupled-Cluster Theory<\/i> workshop, Telluride, CO, USA (2017).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cScalar relativistic equation-of-motion coupled-cluster calculations of core ionized\/excited states\u201d, The 57th Sanibel Symposium, Simons Island, FL, USA (2017).<\/p>\n<p>\u201cAnalytic derivative theory for spin-free exact two-component theory: Spin-orbit coupling and local approximation to block diagonalization\u201d, The IXth Congress of the International Society of Theoretical Chemical Physics, ISTCP-IX, Grand Forks, ND, USA (2016).<\/p>\n<p><b>Invited seminar presentations at academic institutions<\/b><\/p>\n<p>\u201cExtending Accurate Quantum Chemistry to Heavy Elements\u201d Theoretical Chemistry Seminar, University of Memphis, Memphis, TN (2023).<\/p>\n<p>\u201cExtending Accurate Quantum Chemistry to Heavy Elements\u201d Theoretical Chemistry Seminar, University of Washington, Seattle, WA (2023).<\/p>\n<p>\u201cAccurate Electronic Structure Calculations for Heavy Elements\u201d Physical Chemistry\/Chemical Physics Colloquium, University of Colorado Boulder, Boulder, CO (2022).<\/p>\n<p>\u201cExtending Accurate Quantum Chemistry to Heavy Elements\u201d Chemistry Seminar, University of Massachusetts, Amherst, MA (2022).<\/p>\n<p>\u201cExtending Accurate Quantum Chemistry to Heavy Elements\u201d, Physical Chemistry Seminar, University of Wisconsin, Madison, WI (2022).<\/p>\n<p>\u201cExtending Accurate Quantum Chemistry to Heavy Elements\u201d, Physical Chemistry Seminar, Emory University, Atlanta, GA (2022).<\/p>\n<p>\u201cRelativistic Quantum Chemistry with Applications to Heavy-Element Spectroscopy\u201d, Chemistry Seminar, University of Florida, virtual (2021).<\/p>\n<p>\u201cRelativisty Throughout the Periodic Table: Scalar relativity, Spin-orbit Coupling and Spin-Vibronic Interations\u201d, Physical Chemistry Seminar, UCLA, Los Angelas, CA (2021).<\/p>\n<p>\u201cAdvances in Relativistic Quantum Chemistry with Applications to Heavy-Element Spectroscopy\u201d, UC Berkeley Pitzer Theory Seminar, virtual (2021).<\/p>\n<p>\u201cAdvances in Relativistic Quantum Chemistry with Applications to Heavy-Element Spectroscopy\u201d, Chemistry Seminar, Duquesne University, Pittsburg, PA (2021).<\/p>\n<p>\u201cRelativisty Throughout the Periodic Table: Scalar relativity, Spin-orbit Coupling and Spin-Vibronic Interations\u201d, Chemistry Seminar, University of Louisville, virtual, (2021).<\/p>\n<p>\u201cExact two-component coupled-cluster methods using atomic mean-field spin-orbit integrals\u201d, Theoretical chemistry seminar, University of Mainz, Mainz, Germany (2019).<\/p>\n<p>\u201cTowards accurate calculations for the electronic structure in core-ionized and excited states\u201d, Argonne National Laboratory, Lemont, IL (2019).<\/p>\n<p>\u201cRecent advances in spin-orbit coupled-cluster methods\u201d, University of Southern California, Los Angeles, CA (2019).<\/p>\n<p>\u201cRelativistic quantum chemistry and applications to actinide-containing molecules\u201d, Physical Chemistry Seminar, Florida State University, Tallahassee, FL (2019).<\/p>\n<p>\u201cRelativistic quantum chemistry and applications to actinide-containing molecules\u201d, Chemistry Seminar, Wesleyan University, Middletown, CT (2018).<\/p>\n<p>\u201cRelativity throughout the periodic table\u201d, Physical Chemistry Seminar, Arizona State University, Tempe, AZ (2018).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n<p>\u201cRelativity throughout the periodic table\u201d, Seminar at Bowdoin College, Brunswick, ME (2016).<\/p>\n<p>\u201cExact two-component coupled-cluster calculations of molecular properties\u201d, Seminar at the Center for Computational Quantum Chemistry, University of Georgia, Athens, GA (2016).<span class=\"Apple-converted-space\">\u00a0<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Employment Associate Professor, Johns Hopkins University (since Jan. 2023) Assistant Professor, Johns Hopkins University (Jan. 2016 \u2013 Dec. 2022) Education and career preparation Postdoctoral researcher, University of Texas at Austin (Nov. 2011 \u2013 Dec. 2015) \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 [&hellip;]<\/p>\n","protected":false},"author":40,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-97","page","type-page","status-publish","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/pages\/97","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/users\/40"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/comments?post=97"}],"version-history":[{"count":4,"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/pages\/97\/revisions"}],"predecessor-version":[{"id":292,"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/pages\/97\/revisions\/292"}],"wp:attachment":[{"href":"https:\/\/sites.krieger.jhu.edu\/cheng\/wp-json\/wp\/v2\/media?parent=97"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}