Paesani Research Group

Laboratory for Theoretical and Computational Chemistry at UC San Diego  

News 2015

• December 15 - 18, 2015: Francesco is a speaker at Pacifichem 2015.

• December 1, 2015: Colin joins our group.

• November 24, 2015: Francesco is the seminar speaker at UC Irvine.

November 11, 2015: Our article i-TTM model for ab initio-based ion-water potentials. I. Halide-water potential

  energy functions is accepted in the Journal of Physical Chemistry B. Congratulations to Daniel, Pushp and Marc!

• November 1, 2015: Sandeep, Huy, and Dan join our group. Welcome!

• October 5 - 9, 2015: Francesco is a speaker for the workshop Water at the interface between biology, chemistry,

  physics and materials sciences at the International Centre for Theoretical Physics.

• October 2, 2015: Carolyn joins our group.

• October 1, 2015: Our MB-MD simulations of aqueous systems of relevance for aerosol chemistry is highlighted in

  this video by Dell describing how Comet, the new high performance computing cluster at the SDSC, enables

  scientific discovery.

• September 29 - October 2, 2015: Francesco is the seminar speaker at the Ecole Normale Supérieure in Paris,

   University of Evry, and ETH - Zurich.

• September 11, 2015: Francesco is the seminar speaker at Rutgers University - Newark.

• July 23, 2015: Our article Water structure and dynamics in homochiral [Zn(l-L)(X)] metal-organic frameworks is

  accepted in the Journal of Physical Chemistry C. Congratulations to Zack and Matt!

• July 20 - 24, 2015: Francesco is a speaker for the TSRC workshop Quantum effects in condensed-phase systems.

• July 1, 2015: Francesco is promoted to Associate Professor with tenure.

• June 21 - 26, 2015: Francesco is a speaker at TRVS 2015.

• June 14 - 18, 2015: Francesco is a speaker at the TSRC workshop Metal-organic frameworks: Experiments and

  simulations.

• June 4, 2015: Greg graduates.

• June 2015: Welcome to Estefi, David, Geovani and Jerry who will work with us during the summer!

• May 5, 2015: Our ARO proposal on MOFs in collaboration with the Cohen and Gianneschi groups is funded!

• 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.

• February 23 - 27, 2015: Francesco is a speaker for the IPAM workshop Machine learning for many-particle

  systems at UC Los Angeles.

• February 22 - 27, 2015: Francesco is a speaker for the Gordon Research Conference Gaseous Ions: Structures,

  Energetics & Reactions in Galveston (TX).

• February 20, 2015: Francesco is the recepient of the CAREER Award in Chemical Theory, Models and

  Computational Methods from the NSF Division of Chemistry.

• February 13, 2015: Our article Infrared and Raman spectroscopy of liquid water through first principles

  many-body molecular dynamics is accepted in the Journal of Chemical Theory and Computation. Congratulations to

  Greg!

• February 3, 2015: Our joint article with the McCoy, Asmis, and Johnson groups Thermodynamics of water dimer

  dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation

  spectroscopy is accepted in the Journal of Physical Chemistry A.

• February 2, 2015: Our article Effects of surface pressure on the properties of Langmuir monolayers and interfacial

  water at the air/water interface is accepted in Langmuir.

• January 15, 2015: Our joint article with the Cohen and Meng groups MIL-101(Fe) as a lithium-ion battery electrode

  material: a relaxation and intercalation mechanism during lithium insertion is accepted in the Journal of Materials

  Chemistry A.

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