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We are interested in modeling chemical processes at complex interfaces of relevance to the environment through the development and application of new theoretical and computational approaches

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Paesani research group

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University of California,  San Diegohttp://www.ucsd.edu

© Paesani research group. All rights reserved.

News

  1. March 22-26, 2015: Greg receives the Chemical Computing Group Research Excellence award from the Division of Computers in Chemistry at the National Meeting of the American Chemical Society in Denver.

  2. February 22 - 27, 2015: Francesco is one of the speakers for the Gordon Research Conference Gaseous Ions: Structures, Energetics & Reactions in Galveston (TX).

  3. February 20, 2015: Francesco’s NSF CAREER grant proposal is funded by the Chemical Theory, Models and Computational Methods program of the Division of Chemistry.

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Department of Chemistry & Biochemistryhttp://www-chem.ucsd.edu

Recent Publications

  1. G.R. Medders, F. Paesani, Infrared and Raman Spectroscopy of Liquid Water through “First Principles” Many-Body Molecular Dynamics, J. Chem. Theory Comput. 11, 1145 (2015). [link]

  2. W. Lin, A.J. Clark, F. Paesani, Effects of surface pressure on the properties of Langmuir monolayers and interfacial water at model sea-spray aerosol surfaces, Langmuir 31, 2147 (2015). [link]

  3. W. Lin and F. Paesani, Infrared spectra of HCl(H2O)n clusters from semiempirical Born-Oppenheimer molecular dynamics simulations, J. Phys. Chem. A, in press. [link].

  4. J. Cirera, V. Babin, and F. Paesani, Theoretical modeling of spin crossover in metal-organic frameworks: [Fe(pz)2Pt(CN)4] as a case study, Inorg. Chem. 53, 11020 (2014). [link]

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The Paesani group (Fall 2014)

CAICE

  1. Our group is part of the NSF Center for Aerosol Impacts on Climate and the Environment. We will provide molecular-level insights into the mechanisms governing heterogeneous chemical processes on atmospheric aerosol particles.

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Vibrational spectroscopy from “first principles”

many-body molecular dynamics

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Postdoc positions available

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Langmuir monolayers as potential promoters

of ice nucleation on sea-spray aerosol particles

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