Shirin Faraji
Affiliations: | 2006-2010 | Heidelberg University, Tiffin, OH, United States | |
2010-2012 | University of Southern California, Los Angeles, CA, United States | ||
2017- | University of Groningen, Groningen, Netherlands |
Website:
https://www.rug.nl/research/zernike/news/newsitems/2017_faraji_start?lang=enGoogle:
"Shirin Faraji"Bio:
https://www.rug.nl/staff/s.s.faraji/cv?lang=en
https://www.researchgate.net/profile/Shirin_Faraji2
https://scholar.google.com/citations?user=basx5Z0AAAAJ&hl=en
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Parents
Sign in to add mentorLorenz S. Cederbaum | grad student | 2010 | Universität Heidelberg | |
Horst Köppel | grad student | 2010 | Universität Heidelberg | |
(Theoretical studies of multi-state vibronic interactions in some polyatomic molecules.) | ||||
Andreas Dreuw | post-doc | 2010-2012 | Goethe-Universität Frankfurt | |
Anna I. Krylov | post-doc | 2014-2016 | USC |
Children
Sign in to add traineeLuis Itza Vazquez-Salazar | grad student | 2017-2019 | RUG |
Florian Felix Mulks | post-doc | 2019-2019 | RUG |
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Publications
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Menger MFSJ, Ou Q, Shao Y, et al. (2023) Nature of Hops, Coordinates, and Detailed Balance for Nonadiabatic Simulations in the Condensed Phase. The Journal of Physical Chemistry. A. 127: 8427-8436 |
Grigorenko BL, Polyakov IV, Khrenova MG, et al. (2023) Multiscale Simulations of the Covalent Inhibition of the SARS-CoV-2 Main Protease: Four Compounds and Three Reaction Mechanisms. Journal of the American Chemical Society. 145: 13204-13214 |
Cofer-Shabica DV, Menger MFSJ, Ou Q, et al. (2022) INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations. Journal of Chemical Theory and Computation |
Giudetti G, Polyakov I, Grigorenko BL, et al. (2022) How Reproducible Are QM/MM Simulations? Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV-2 Main Protease by Carmofur. Journal of Chemical Theory and Computation |
Bruininks BMH, Thie AS, Souza PCT, et al. (2021) Sequential Voxel-Based Leaflet Segmentation of Complex Lipid Morphologies. Journal of Chemical Theory and Computation |
Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
Straatsma TP, Broer R, Faraji S, et al. (2020) GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems Journal of Chemical Physics. 152: 64111 |
Mulks FF, Hashmi ASK, Faraji S. (2020) Sesquicarbene Complexes: Bonding at the Interface Between M–C Single Bonds and M═C Double Bonds Organometallics. 39: 1814-1823 |
Ryerson JL, Zaykov A, Aguilar Suarez LE, et al. (2019) Structure and photophysics of indigoids for singlet fission: Cibalackrot. The Journal of Chemical Physics. 151: 184903 |
Moghaddam KG, de Vries AH, Marrink SJ, et al. (2019) Binding of quinazolinones to c-KIT G-quadruplex; an interplay between hydrogen bonding and π-π stacking. Biophysical Chemistry. 253: 106220 |