Sijia Dong
Affiliations: | Northeastern University, Boston, MA, United States |
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Parents
Sign in to add mentor| William A. Goddard | grad student | 2012-2017 | Caltech |
| Laura Gagliardi | post-doc | ||
| Donald G. Truhlar | post-doc | 2017-2019 | UMN |
| Giulia Galli | post-doc | 2019-2020 | Argonne National Laboratory |
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Publications
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| Burton HGA, Dong SS, Ghosh S, et al. (2024) JCTC Early Career Board Selects. Journal of Chemical Theory and Computation. 20: 5785-5787 |
| Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation |
| Dong SS, Govoni M, Galli G. (2021) Machine learning dielectric screening for the simulation of excited state properties of molecules and materials. Chemical Science. 12: 4970-4980 |
| Fernández Galván I, Vacher M, Alavi A, et al. (2019) OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation |
| Dong SS, Gagliardi L, Truhlar DG. (2019) Nature of the 11Bu and 21Ag excited states of butadiene and the Goldilocks principle of basis set diffuseness. Journal of Chemical Theory and Computation |
| Dong SS, Huang KB, Gagliardi L, et al. (2019) State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound. The Journal of Physical Chemistry. A |
| Marín MDC, De Vico L, Dong SS, et al. (2019) Assessment of MC-PDFT excitation energies for a set of QM/MM models of rhodopsins. Journal of Chemical Theory and Computation |
| Shu Y, Dong SS, Parker KA, et al. (2018) Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy. Physical Chemistry Chemical Physics : Pccp |
| Bao JJ, Dong SS, Gagliardi L, et al. (2018) Automatic selection of an active space for calculating electronic excitation spectra by MS-CASPT2 or MC-PDFT. Journal of Chemical Theory and Computation |
| Dong SS, Gagliardi L, Truhlar DG. (2018) Excitation spectra of retinal by multiconfiguration pair-density functional theory. Physical Chemistry Chemical Physics : Pccp |