Francesco Paesani

95PUBLICATIONS
110CO-AUTHORS
Transport properties and non-equilibrium processesStructure and dynamics of materialsFunctional materialsChemical thermodynamics and energeticsProcedural content generation
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Publications (95)

|Sep 28, 2026
Many-body interactions resolve halide distribution at the air/water interface.

|Sep 03, 2026
Microsolvation of Protonated Glycine: Infrared Spectra from Data-Driven Quantum Many-Body Simulations.

|May 27, 2026
Property-Tuned, Defective, and Amorphous MOF Adsorbents via Ligand Tethering.

|Apr 29, 2026
Hydration Free Energies of Alkali Metal and Halide Ions from Data-Driven Many-Body Potentials.

|Mar 06, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation.

Vikrant Tripathy, Etienne Palos, Kenneth M Merz

|Feb 27, 2026
Heterogeneity of Free O-H Groups at the Air/Water Interface.

Richa Rashmi, Kuo-Yang Chiang, Yuki Nagata

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Frequent Collaborators

9 joint publications

Richa Rashmi

8 joint publications

Henry Agnew

8 joint publications

Saswata Dasgupta

6 joint publications

Suman Saha