Paesani Research Group

Laboratory for Theoretical and Computational Chemistry at UC San Diego  

News 2020

© Paesani Research Group. All rights reserved.

• August 10: Our Perspective How good are polarizable and flexible models for water: Insights from a many-body

  perspective appears in the Journal of Chemical Physics.

• July 29: Our article Infrared signatures of isomer selectivity and symmetry breaking in the Cs+(H2O)3 complex using

  many-body potential energy functions in collaboration with the Steele Group (The University of Utah) appears in

  the Journal of Chemical Physics.

• June 3: Kartik passes her qualifying exam and is officially a Ph.D. candidate.

• May 15: Teri passes his qualifying exam and is officially a Ph.D. candidate.

• April 13: Our article Active learning of many-body configuration space: Application to the Cs+–water MB-nrg

  potential energy function as a case study appears in the Journal of Chemical Physics.

• April 9: Kelly's Viewpoints on the 2020 Pacific Conference on Spectroscopy and Dynamics appears in the Journal

  of Chemical Physics A.

• April 6: Our article On the nature of halide–water interactions: Insights from many-body representations and density

  functional theory appears in the Journal of Chemical Theory and Computation.

• April 6: Kelly passes her qualifying exam and is officially a Ph.D. candidate.

• March 10: Our article The end of ice I in collaboration with the Molinero (The University of Utah) and Zeuch

  (University of Göttingen) groups is awarded the Cozzarelli Prize by the National Academy of Sciences.

• March 4: Our article Computer simulations explain mutation-induced effects on the DNA editing by adenine base

  editors in collaboration with the Komor Lab appears in Science Advances.

• March 4: Our article Data-driven many-body models for molecular fluids: CO2/H2O mixtures as a case study

  appears in the Journal of Chemical Theory and Computation.

• February 28: Our Multidisciplinary University Research Initiative project on the Mechanisms of ice formation and

  anti-icing constructs is selected for funding by the Air Force Office of Scientific Research.

• February 19: Teri presents our research on quantum mechanics/many-body models at the Student Research

  Seminar.

• February 15-19: Kartik presents our research on base editors at the Biophysical Society Annual Meeting.

• January 30 - February 2: Kelly and Francesco present our research on water in MOFs and data-driven many-body

  models at the Pacific Conference on Spectroscopy and Dynamics.

• January 31: Kartik, Kaushik, and Perry present our research on gene editing at LabExpo 2020.

• January 30:  Our article Modeling spontaneous charge transfer at metal/organic hybrid heterostructures appears in

  the Journal of Physical Chemistry C.

• January 26-31: Marc and Alessandro present our research on many-body models and machine learning for

   ion-water interactions at the Gordon Research Conference Molecular and Ionic Clusters.

• January 26: Kartik presents our research on gene editing at Deaminet 2020.

• January 2: Kartik gives a seminar about our research on gene editing at Institute of Technology Bombay.