Paesani Research Group

Laboratory for Theoretical and Computational Chemistry at UC San Diego  

• November 22, 2011: Our paper A refined MS-EVB model for proton transport in aqueous environments is accepted

  in the Journal of Physical Chemistry B.

• October 31, 2011: Francesco is the seminar speaker at the University of Utah.

• September 5, 2011: Our paper Hydrogen bond dynamics in heavy water studied with quantum dynamical

  simulations is accepted in Physical Chemistry Chemical Physics as part of the themed issue Physics and chemistry

  of water and ice.

• August 28 - September 1, 2011: Francesco is a speaker at the ACS National Meeting in Denver.

• August 13, 2011: Our research on aerosol chemistry is funded by the Environmental Chemical Science program of

  the Chemistry Division of the  National Science Foundation.

• August 8, 2011: Good luck to Jason who is moving to University of Indiana, Bloomington, for his Ph.D.

• August 1, 2011: Porter joins our group.

• July 14, 2011: Our research on aerosol chemistry is highlighted in the press release describing the computationally

  most intensive studies that are currently performed on Trestles, one of the high-performance computing clusters of

  NSF Teragrid / XSEDE.

• June 27-29, 2011: Francesco is a speaker at the CECAM workshop on Liquid/solid interfaces: Structure and

  dynamics from spectroscopy and simulations.

• May 30, 2011: Congratulations to Jason on earning his M.S. degree!

• April 30, 2011: Nico attends the Undergraduate Research Conference at UC San Diego where he presents his

  work on quantum molecular dynamics approaches for GPUs.

• March 1, 2011: Our group joins the Graduate Program in Computational Science, Mathematics and Engineering.

• February 19, 2011: In collaboration with the San Diego Supercomputer Center (SDSC), our group hosts a SMART

  (Students Modeling a Research Topic) event in our lab with students of El Capitan High School and High Tech  

  High North County.

• February 1, 2011: Our project on the computational modeling of aerosol chemistry in collaboration with Andy Götz

  and Ross Walker at SDSC is highlighted in the UC San Diego newsletter.

• January 31, 2011: Our group is awarded an allocation of computing time on the Triton cluster at the San Diego

  Supercomputer Center (SDSC) through the Triton Research Opportunities (TRO) program. Our group is teaming up

  with scientists at SDSC to develop new QM/MM approaches to study heterogeneous physicochemical processes

  on aerosols.

• January 29, 2011: In collaboration with the San Diego Supercomputer Center (SDSC), our group hosts a SMART

  (Students Modeling a Research Topic) event in our lab with students of Francis Parker and Mt. Empire High

  Schools.

• January 19, 2011: Our paper Temperature-dependent infrared spectroscopy of water from a first principles

  approach is accepted in the Journal of Physical Chemistry A.

• January 14, 2011: Kyoyeon joins our group.

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News 2011