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Francesco Paesani

university of california san diego

66H-index
454Paper Count
1.5WCitation Count
Published Papers 154
Publication Date
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Property-Tuned; Defective; and Amorphous MOF Adsorbents via Ligand Tethering
errACS Applied Materials & Interfaces
IF0
err2026-05-26
err0
PREAI
errDebobroto Sensharma; Vibhu Vardhan Singh; Srijita Pal; Samuel C. B. Chackerian; Francesco Paesani; Seth M. Cohen
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Hydration Free Energies of Alkali Metal and Halide Ions from Data-Driven Many-Body Potentials
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-29
err0
PREAI
errSuman Saha; Francesco Paesani
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errSave
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-06
err0
PREAI
errVikrant Tripathy; Etienne Palos; Kenneth M. Merz Jr.; Francesco Paesani; Andreas W. Götz
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Molecular Insights into the Influence of Ions on Water Structure. II. Halide Ions in Solution (vol 129, pg 6584, 2025)
errJournal of Physical Chemistry B
IF2.9
err2026-03-01
err0
PREAI
errAgnew, Henry; Savoj, Roya; Rashmi, Richa; Savala, Benjamin; Paesani, Francesco
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Heterogeneity of Free O–H Groups at the Air/Water Interface
errThe Journal of Physical Chemistry Letters
IF0
err2026-02-27
err0
PREAI
errRicha Rashmi; Kuo-Yang Chiang; Yuki Nagata; Mischa Bonn; Francesco Paesani
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Surface-Specific and Bulk Field-Induced Contributions to Vibrational Sum-Frequency Generation Spectra at Charged Graphene Oxide/Water Interfaces
errJournal of Physical Chemistry Letters
IF4.6
err2026-02-01
err0
PREAI
errBalogun, Toheeb O.; Rashmi, Richa; Azom, Golam; Kumar, Revati; Paesani, Francesco
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Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement
errACS NANO
IF16
err2025-12-01
err0
PREAI
errDick, Leonard; Rashmi, Richa; Agnew, Henry; Saha, Suman; Zhu, Xuanyu; Kirchner, Barbara; Paesani, Francesco
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Reactivity of Nanoconfined Water Is Modulated by the Properties of Confining Materials
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-11-01
err0
PREAI
errDasgupta, Saswata; Saha, Suman; Paesani, Francesco
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Toward Chemical Accuracy in Biomolecular Simulations through Data-Driven Many-Body Potentials: II. Polyalanine in Water
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-17
err0
PREAI
errRuihan Zhou; Francesco Paesani
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Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-15
err0
errOAAI
errXin Chen; Jessica A. Martinez B; Xuecheng Shao; Marc Riera Riambau; Oliviero Andreussi; Francesco Paesani; Michele Pavanello
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Computational Analysis of Threonine Ladders on Distinct β-Solenoid Scaffolds, with Implications for the Design of Novel Antifreeze Proteins
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-09-01
err0
PREAI
errCalia, Cianna N.; Paesani, Francesco
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Møller–Plesset Adiabatic Connection Theory for Diverse Noncovalent Interactions
errphysical chemistry letters
IF0
err2025-07-28
err0
PREAI
errEtienne Palos; Heng Zhao; Kimberly J. Daas; Eduardo Fabiano; Francesco Paesani; Stefan Vuckovic
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errSave
Sub-nanometer Confinement Suppresses Autoionization of Water
errJournal of the American Chemical Society
IF15.6
err2025-07-14
err0
PREAI
errSaswata Dasgupta; Suman Saha; Francesco Paesani
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Resolving the Spectral Signatures of Strong Hydrogen Bonding in Fluoride Hydration
errThe Journal of Physical Chemistry B
IF0
err2025-07-07
err0
PREAI
errRicha Rashmi; Benjamin Savala; Henry Agnew; Roya Savoj; Francesco Paesani
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Permutationally Invariant Fourier Series for Accurate and Robust Data-Driven Many-Body Potentials
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-05
err0
PREAI
errXuanyu Zhu; Francesco Paesani
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MBX V1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-14
err0
PREAI
errGupta, Shreya; Bull-Vulpe, Ethan F.; Agnew, Henry; Iyer, Shishir; Zhu, Xuanyu; Zhou, Ruihan; Knight, Christopher; Paesani, Francesco
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Revealing the Water Structure at Neutral and Charged Graphene/Water Interfaces through Quantum Simulations of Sum Frequency Generation Spectra
errACS NANO
IF16
err2025-01-21
err0
PREAI
errRashmi, R; Balogun, TO; Azom, G; Agnew, H; Kumar, R; Paesani, F
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errSave
Electroreduction-Driven Formation and Connectivity of Polyoxometalate Coordination Networks
errINORGANIC CHEMISTRY
IF4.7
err2025-01-16
err0
errOAAI
errChang, Haeun; Chen, Linfeng; Samolova, Erika; Pan, Yuanhui; Acosta, Kody A.; Lemmon, Carl E.; Gembicky, Milan; Paesani, Francesco; Schimpf, Alina M.
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Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-14
err4
PREAI
errPalos, Etienne; Bull-Vulpe, Ethan F.; Zhu, Xuanyu; Agnew, Henry; Gupta, Shreya; Saha, Suman; Paesani, Francesco
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Concentration-Dependent Layer-Stacking and the Influence on Phase-Conversion in Colloidally Synthesized WSe2 Nanocrystals
errCHEMISTRY OF MATERIALS
IF7
err2024-09-09
err0
errOAAI
errGeisenhoff, Jessica Q.; Pan, Yuanhui; Yin, Hang; Paesani, Francesco; Schimpf, Alina M.
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