© Paesani Research Group. All rights reserved.

• January 15: Kickoff meeting of our MURI (Multidisciplinary University Research Initiative) program funded by the

  Air Force Office of Scientific Research. For the next five years we will investigate the mechanisms of ice nucleation,

  antifreeze, antiicing, and deicing through an an integrated multiscale appproach that combines theory, computer

  simulations, spectroscopy, microscopy, machine learning, and chemical biology.

• March 11: Kartik's piece (Re)Defining Moment: Should You View Graduate School as a Race, Marathon, or

  Something Completely Different? is published.

• March 19: Kartik is one of a recipient of the 2020-21 Distinguished Graduate Student Fellowship.

• March 25: Graduate students Hilliary Frank, Ruihan Zhou, Etienne Palos, and Yuanhui Pan join our group.

• March 11: Kartik's piece (Re)Defining Moment: Should You View Graduate School as a Race, Marathon, or

  Something Completely Different? is published.

• April 20: Our article Relationship between hydrogen-bonding motifs and the 1b1 splitting in the x-ray emission

  spectrum of liquid water appears in the Journal of Physical Chemistry Letters.

• May 13: Our article Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge

  transport in covalent organic frameworks appears in Chemical Science.

• May 21: After more than a year, we are back on campus!

• May 26: Our article Assessing the accuracy of the SCAN functional for water through a many-body analysis of the

adiabatic connection formula appears in the Journal of Chemical Theory and Computation.

• May 28: Our article Simulation meets experiment: Unraveling the properties of water in metal-organic frameworks

  through vibrational spectroscopy appears in the Journal of Physical Chemistry C.

• June 2: Our article Vapor-liquid equilibrium of water with the MB-pol many-body potential in collaboration with the

  Panagiotopoulos group (Princeton University) appears in the Journal of Chemical Physics.

• June 25: Colin graduates and moves to ICTP in Trieste (Italy) for his postdoc.

• August 9: Our article Data-driven many-body models enable a quantitative description of chloride hydration from

  clusters to bulk appears in the Journal of Chemical Physics.

• August 11: Farewell party for Vinicius who is moving to Stanford University for his postdoc.

• August 16-19: We host a hackhaton with the Andreussi (University of North Texas) and Pavanello (Rutgers

  University) groups to integrate MBX, Environ, and eQE.

• August 22-26: Francesco presents our research at the ACS National Meeting in Atlanta.

• September 13: Our article General many-body framework for data-driven potentials with arbitrary quantum

mechanical accuracy: Water as a case study appears in the Journal of Chemical Theory and Computation.

• September 20: Etienne presents his research on density-corrected DFT many-body models at LatinXChem.

• September 23: Our article MB-Fit: Software infrastructure for data-driven many-body potential energy functions

appears in the Journal of Chemical Physics.

• September 23: Our article Topology-mediated enhanced polaron coherence in covalent organic frameworks   

  appears in the Journal of Physical Chemistry Letters.

• November 4: Our article Elevating density functional theory to chemical accuracy for water simulations through a

  density-corrected many-body formalism appears in Nature Communications.

• November 11: Francesco presents our recent progress in the development and application of data-driven

  many-body models at the AiChE meeting in Boston.

• December 8: Our article Water capture mechanisms at zeolitic imidazolate framework interfaces in collaboration

  with the Xiong group appears in the Journal of the American Chemical Society.

• December 13: Our article Near- and long-term quantum algorithmic approaches for vibrational spectroscopy in  

  collaboration with Nicholas Sawaya (Intel) and Daniel Tabor (Texas A&M) appears in Physical Review A.