1. Wyatt Zagorec-Marks, James E. T. Smith, Madison M. Foreman, Sandeep Sharma, J. Mathias Weber. “Intrinsic Electronic Spectra of Cryogenically Prepared Protoporphyrin IX Ions in Vacuo – Deprotonation-Induced Stark Shifts”. Physical Chemistry Chemical Physics (2020) 22, 20295-20302.
  2. Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus Juul Eriksen, Yang Gao, Sheng Guo, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. McClain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira Sayfutyarova, Maximilian Scheurer, Henry F. Schurkus, James E. T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Sokolov, Garnet Kin-Lic Chan. “Recent developments in the PySCF program package”. J. Chem. Phys. 153, (2020) 024109.
  3. Joel W. Clancey, Andrew S. Cavanagh, James E. T. Smith, Sandeep Sharma, and Steven M. George. “Volatile Etch Species Produced During Thermal Al2O3 Atomic Layer Etching”, J. Phys. Chem. C, 124, (2020) 287-299.
  4. Giuseppe Carleo, Kenny Choo, Damian Hofmann, James E. T. Smith, Tom Westerhout,Fabien Alet, Emily J. Davis, Stavros Efthymiou, Ivan Glasser, Sheng-Hsuan Lin, Marta Mauri, Guglielmo Mazzola, Christian B. Mendl, Evert van Nieuwenburg, Ossian O’Reilly,Hugo Theveniaut, Giacomo Torlai, and Alexander Wietek, “NetKet: A Machine Learning Toolkit for Many-Body Quantum Systems”, SoftwareX, 10, (2019) 00311.
  5. Leah G. Dodson, Wyatt Zagorec-Marks, Shuang Xu, James E. T. Smith, J. Mathias Weber, “Intrinsic photophysics of nitrophenolate ions studied by cryogenic ion spectroscopy”, Phys. Chem. Chem. Phys. (2018) 28535 - 28543.
  6. James E. T. Smith Bastien Mussard, Adam A. Holmes, Sandeep Sharma, “Cheap and near exact CASSCF with large active spaces”, J. Chem. Theor. and Comp. 13 (2017) 5468-5478. (Editor’s Choice).
  7. Shuang Xu, James E. T. Smith, Samer Gozem, Anna I. Krylov, J. Mathias Weber, “Electronic Spectra of Tris(2,2’-bipyridine)-M(II) Complex Ions in Vacuo (M = Fe and Os)”, Inorg. Chem. 56, (2017) 7029–7037.
  8. Shuang Xu, James E. T. Smith, J. Mathias Weber, “UV Spectra of Tris(2,2’-bipyridine)-M(II) Complex Ions in Vacuo (M = Mn, Fe, Co, Ni, Cu, Zn)”, Inorg. Chem. 55 (2016) 11937–11943.
  9. S. Xu, James E. T. Smith, J. M. Weber, “Hydration of a Binding Site with Restricted Solvent Access – Solvatochromic Shift of the Electronic Spectrum of a Ruthenium Polypyridine Complex, One Molecule at a Time”, J. Phys. Chem. A, 120 (2016) 7650–7658.
  10. Shuang Xu, James E. T. Smith, J. Mathias Weber, “The Electronic Spectrum of Cryogenic Ruthenium-Tris-Bipyridine Dications in Vacuo”, J. Chem. Phys. 145 (2016) 024304.
  11. Shuang Xu, James E. T. Smith, J. Mathias Weber, “Ligand Influence on the Electronic Spectra of Dicationic Ruthenium-Bipyridine-Terpyridine Complexes”, J. Phys. Chem. A 120 (2016) 2350–2356.