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
Welcome
to the Paesani group website!
Paesani research group
© Paesani research group. All rights reserved.
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•May 16, 2013: Kevin received the 2013 Harold C. Urey Award as the most outstanding graduating chemistry student.
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•May 16, 2013: Adil and Matt presented their poster on conducting MOFs at the 7th Annual Undergraduate Chemistry Research Symposium.
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•April 7-11, 2013: Jordi and Francesco gave two talks at the ACS National Meeting in New Orleans.
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•W. Lin and F. Paesani, Systematic study of structural and thermodynamic properties of HCl(H2O)n clusters from semiempirical replica exchange simulations, J. Phys. Chem. A, in press (2013). [link]
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•C.A. Allen, J.A. Boissonnault, J. Cirera, R. Gulland, F. Paesani, and S.M. Cohen, Chemically cross-linked metal-organic frameworks, Chem. Comm. 49, 3200 (2013). [link]
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•G.R. Medders, V. Babin, and F. Paesani, A critical assessment of two-body and three-body interactions in water, J. Chem. Theory Comput. 9, 1103 (2013). [link]
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•V. Babin, G.R. Medders, and F. Paesani, Toward a Universal Water Model: First Principles Simulations from the Dimer to the Liquid Phase, J. Phys. Chem. Lett. 3, 3765 (2012). [link]
Our group (Summer 2012)
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•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.
HBB2-pol: A “universal” water potential.
2-body water interactions from different models. [Read more]
