The Paesani Research Group

Laboratory for Theoretical and Computational Chemistry at UC San Diego  

News 2017

© Paesani Research Group. All rights reserved.

• October 13, 2017: Our article Ultrafast direct electron transfer at organic semiconductors and metal interfaces in

  collaboration with the Xiong group is accepted for publication in Science Advances.

• October 12, 2017: Undergraduate students Bella and Brandon join our group. Welcome!

• October 9, 2017: Undergraduate students Angela, Hongrui, Derek, and Nathaniel join our group. Welcome!

• September 25, 2017: First-year graduate students Teri, Kelly, Kartik, and Sam start rotatios in our group. Welcome!

• September 22, 2017: Our Communication Pore breathing of metal-organic frameworks by environmental

  transmission electron microscopy in collaboration with the Gianneschi and Cohen groups is accepted for publication

  in the Journal of the American Chemical Society.

• July 25, 2017: Our article Toward chemical accuracy in the description of ion-water interactions through

  many-body representations: Alkali metal ion-water dimer potential energy surfaces is selected for Scilight.

• July 24 - August 2, 2017: Oliver attends the 2017 MolSSI Summer School at Virginia Tech.

• July 24 - 28, 2017: Marc attends the Summer School on Theoretical Chemistry in Telluride.

• July 17 - 21, 2017: Pushp presents our research on the spectroscopy of small halide-water clusters at the TSRC   

  workshop Spectroscopy and dynamics of coupled anharmonic vibrations of floppy molecular systems in Telluride.

• July 16 - 21, 2017: Sandra, Dan, Shelby, and Francesco present our research at the American Conference on

  Theoretical Chemistry in Boston.

• July 7, 2017: Our grant proposal on catalysis in MOFs is recommended for funding by NSF.

• July 1, 2017: Undergraduate students Qin and Peter joins our group. Welcome!

• June 26, 2017: High schoolers Yaria and Jessica join our group for summer as part of the ENLACE program.

   Undergraduate Edilberto joins our group for summer as part of the STARS program.

• June 19, 2017: Our article Toward chemical accuracy in the description of ion-water interactions through

  many-body representations: Alkali metal ion-water dimer potential energy surfaces is accepted in the Journal of

  Chemical Physics.

• June 15, 2017: Our article Molecular origin of the vbrational structure of ice Ih is featured in the Journal

   of Physical Chemistry Letters Spotlights.

• June 11 - 16, 2017: Francesco presents our research on ice Ih at the 9th International Conference on Advanced

  Vibrational Spectroscopy in Victoria, BC, Canada.

• May 31, 2017: Our article Monitoring water clusters "melt" through vibrational spectroscopy is featured in the

  Journal of the Americal Chemical Society Spotlights.

• 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 20, 2017: Our group attends the 2nd Southern California Theoretical Chemistry Symposium at UC Irvine.

• 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

  elected Vice-Chair of the Theoretical Chemistry Subdivision of the American Chemical Society.