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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

Group onlyhttp://paesanigroup.ucsd.edu/group_wiki
University of California,  San Diegohttp://www.ucsd.edu

© Paesani research group. All rights reserved.

News

  1. July 7-11, 2014: Francesco is the co-organizer of the TSRC Workshop “Metal-organic frameworks: Experiments and Simulations”.

  2. July 2, 2014: Our article Development of a “first principles" water potential with flexible monomers. III: Liquid phase properties is accepted in the Journal of Chemical Theory and Computation. Congratulations to Greg and Volodymyr!

  3. June 2, 2014: Wei graduates. Congratulations, Dr. Lin!

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

Recent Publications

  1. V. Babin, G.R. Medders, and F. Paesani, Development of a “first principles" water potential with flexible monomers. II: Trimer potential energy surface, third virial coefficient, and small clusters, J. Chem. Theory Comput. 10, 1599 (2014). [link]

  2. V. Babin, C. Leforestier, and F. Paesani, Development of a “first principles" water potential with flexible monomers: Dimer potential energy surface, VRT spectrum, and second virial coefficient, J. Chem. Theory Comput. 9, 5395 (2013). [link]

  3. G.R. Medders and F. Paesani, Many-body convergence of the electrostatic properties of water, J. Chem. Theory Comput. 9, 4844 (2013). [link]

  4. F. Paesani, Molecular mechanisms of water-mediated proton transport in MIL-53 metal-organic frameworks, J. Phys. Chem. C 117, 19508 (2013). [link]

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The Paesani group (Fall 2013)

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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Proton conduction in MOFs.

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The curious case of the water hexamer.

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Postdoc positions available

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