The Paesani Research Group

Laboratory for Theoretical and Computational Chemistry at UC San Diego  

News 2017

© Paesani Research Group. All rights reserved.

• May 26, 2017: Marc passes the qualifying exam. Congrats!

• May 25, 2017: Francesco is the the recipient of the 2017 Legacy Lecture Award.

• May 25, 2017: Our article Molecular origin of the vibrational structure of ice Ih is accepted for publication in the

  Journal of Physical Chemistry Letters.

• May 4, 2017: Marc is a recipient of the MolSSI Software Fellowship.

• May 2, 2017: Our article Monitoring water clusters "melt" through vibrational spectroscopy is accepted for

  publication in the Journal of the American Chemical Society.

• April 26, 2017: Francesco gives the Physical Chemistry seminar at the University of North Carolina, Chapel Hill.

• April 18, 2017: Francesco gives the Physical Chemistry seminar at Penn State.

• April 2 - 7, 2017: Francesco is an invited speaker at the National Meeting of the American Chemical Society in

  San Francisco.

• April 1, 2017: Our project on further developments of our many-body molecular dynamics methodology is funded

   by the National Science Foundation.

• March 28, 2017: Our article Sodium - carboxylate contact ion pair formation induces stabilization of palmitic acid

   monolayers a high pH in collaboration with the Allen group (Ohio State University) is accepted for publication in

   Physical Chemistry Chemical Physics.

• March 21, 2017: Our article On the accuracy of the MB-pol many-body potential for water: Interaction energies,

  vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

  is selected as Journal of Chemical Physics Editors’ Choice for 2016.

• March 13 - 16, 2017: Francesco is an invited speaker at the National Meeting of the American Physical Society in

  New Orleans.

• March 10-11, 2017: Professor Michele Parrinello (ETH Zürich) visits our group.

• March 7, 2017: Francesco is the student invited speaker for the Physical Chemistry Seminar at UC Berkeley.

• February 28, 2017: Our article Many-body interactions in ice is accepted for publication in the Journal of Chemical

  Theory and Computation.

• February 12-17, 2017: Marc presents a poster about our many-body representations of ion-water clusters at the

  Gordon Research Conference Gaseous Ions: Structures, Energetics & Reactions.

• February 7, 2017: Our article Computational exploration of the water concentration-dependence of the proton

   transport in the porous UiO-66(Zr)-(CO2H)2 metal-organic framework in collaboration with the Maurin group

   (Université de Montpellier) is accepted for publication in Chemistry of Materials.

• February 1, 2017: Qin and Eric join our group.

• January 30, 2017: Our joint theoretical-experimental article Ice nucleation efficiency of hydroxylated organic

   surfaces is controlled by their structural fluctuations and mismatch to ice  led by the Molinero group (University of

   Utah) is accepted for publication in the Journal of the American Society.

• January 2, 2017: Oliver joins our group.

• January 2, 2017: Francesco joins the Editorial Advisory Board of the Journal of Physical Chemistry and is

  nominated Chair-elect of the Theoretical Chemistry Subdivision of the American Chemical Society.