Prof. Mateusz Marianski
Address: Chemistry Department of Hunter College CUNY, 695 Park Ave, New York, NY 10065
Office Location: HN-1321B (North Builiding, 13th floor)
Phone: 212-772-5343
E-mail: mmarians@hunter.cuny.eduEducation: 1) 2013-2018: Postdoc Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany 2) 2009-2013: Ph.D. Graduate Center and Hunter College, CUNY 3) 2005-2009: M.Sc. University of Wroclaw, Poland Publications: ORCID & Google Scholar
Murat Yaman (Biochem ‘25)
Research Interest: Structural analysis of small glycans in a gas phase. Understanding of the role of potential-energy surface in defining function of glycans in gas-phase, solution, and in bound complexes. Development of sampling techniques and data analysis pipeline in CarP.
Methods: Quantum chemical calculations (Gaussian16, FHIaims, CP2K), semiempiriral (xtb), and data analysis (Python).
Ryan Kwok (Chem ‘27)
Research Interest: Ryans uses methods of density-functional theory to investigate the effect of a molecular distortion on a reaction rates in reaction driven by a mechanical force. He’s a part of NSF CCI center for mechanochemistry
Methods: Quantum chemical calculations (Gaussian16, FHI-aims and CP2K) and data analysis (Python).
Deborah Essilfie (Chem ‘28)
Research Interest: Deborah investigates a force-induced mechanism-selectivity of simple organic reactions. She’s a part of the NSF CMCC center for mechanochemistry
Methods: Quantum chemical calculations (Gaussian16, ORCA, and CP2K) and data analysis (Python).
Diana Bello (Chem ‘28)
Research Interest: Diana works with molecular dynamics simulations to understand the mechanism of site-selective binding of the Synthetic Carbohydrate Receptors to glycoproteins in a biochemical context.
Methods: Molecular Dynamics calculations (gromacs) and data analysis (Python).
Eugene Chung (Chem ‘28)
Research Interest: Eungene investigates the effect of sterectronic properties of protecting groups on the mechanism and resulting stereochemistyr of a glycosylation reaction. He is also responsible for maintaining and developing CarPpy.
Methods: Quantum chemical calculations (Gaussian16, ORCA, and CP2K), data analysis (Python) and coding (fortran, c++).
Hillel Lerner (Chem ‘30)
Research Interest: DFT simulations of bioconjugations reaction mechanisms.
Methods: DFT calculations in gaussian and data analysis in python.
Nikola Pociask
Research Interest: MD simulations of bioconjugation reaction mechanism.
Methods: Molecular dynamics simulations in gromacs and data visualization in VMD.
Leah Tamayev
Research Interest: Mechanochemistry
Methods: Quantum chemical calculations (Gaussian16, ORCA, and CP2K), data analysis (Python) and coding (fortran, c++).
Ndeye Khadidiatou Mbodj
Research Interest: Mechanochemistry
Methods: Quantum chemical calculations (Gaussian16, ORCA, and CP2K), data analysis (Python) and coding (fortran, c++).