Paesani Research Group

Laboratory for Theoretical and Computational Chemistry at UC San Diego  

News 2026

© Paesani Research Group. All rights reserved.

• January 5: Zitong joins our group as a Ph.D. student.

• January 27: Our article Surface-specific and bulk field-induced contributions to vibrational sum-frequency

  generation spectra at charged graphene oxide/water interfaces is posted on ChemRxiv.

• January 27: Our article Microsolvation of protonated glycine: Infrared spectra from data-driven quantum

  many-body simulations is posted on ChemRxiv.

• February 5: MBX becomes an official package of LAMMPS.

• February 7: Our group participates in the 8th SoCal TheoChem Symposium at CSU Fullerton.

• February 16: Our article Surface-specific and bulk field- induced contributions to vibrational sum-frequency

  generation spectra at charged graphene oxide/water interfaces is published in the Journal of Physical Chemistry

  Letters.

• March 1: Our article Heterogeneity of free O–H groups at the air/water interface is published in the Journal of

  Physical Chemistry Letters.

• March 5: Our article Hydration free energies of alkali and halide ions from data-driven many-body potentials is

  posted on ChemRxiv.

• March 9: Our article QUICK and robust ESP and RESP charges for computational biochemistry: Open-source GPU

   implementation in collaboration with the Götz group at the San Diego Supercomputer Center is published in the

  Journal of Chemical Information and Modeling.

• March 15-20: Richa, Zoe, Alison, Xuanyu, Henry, Suman, and Francesco present our research at the APS Global

  Summit in Denver.

• March 22-26: Richa and Francesco present our research ar the ACS National Meeting in Atlanta.

• March 26: MBX is interfaced with the Atomic Simulation Environment.

• March 26: Our perspective Catching water’s hidden transition is published in Science.

• March 29: Huge congratulations to our amazing high schooler Olivia on being admitted to UC San Diego, UC

  Berkeley, Caltech, and Imperial College.

• March 30: We say goodbye to Saeyeon, who spent the past 6 months with us from Korea University.

• April 1: Jasper joins our group as a Ph.D. student.