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D-Index & Metrics

Chemistry

D-Index
68
Citations
15624
World Ranking
6563
National Ranking
1989

Research.com Recognitions

  • 2012 - Hellman Fellow

Overview

Francesco Paesani is affiliated with the University of California, San Diego in the United States. Their research primarily spans the fields of Physics and Astronomy, Chemistry, and Materials Science. Within these broad fields, their work focuses on subfields including Atomic and Molecular Physics and Optics, Materials Chemistry, Molecular Biology, Inorganic Chemistry, and Spectroscopy.

The scientist has contributed extensively to topics such as:

  • Spectroscopy and Quantum Chemical Studies
  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Quantum, superfluid, helium dynamics
  • Metal-Organic Frameworks: Synthesis and Applications
  • Protein Structure and Dynamics
  • Advanced NMR Techniques and Applications

Francesco Paesani has published frequently in key scientific journals, with the most common venues including:

  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry B
  • The Journal of Physical Chemistry Letters
  • Chemistry of Materials

Recent papers authored by or including Paesani focus on water simulations and molecular interactions. Selected publications include:

  • "Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism," 2021, Nature Communications
  • "Realistic phase diagram of water from 'first principles' data-driven quantum simulations," 2023, Nature Communications
  • "Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model," 2022, The Journal of Physical Chemistry Letters
  • "MB-pol(2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid Phase," 2023, Journal of Chemical Theory and Computation
  • "A 'short blanket' dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?" 2023, The Journal of Chemical Physics

Frequent collaborators include Marc Riera, Saswata Dasgupta, Eleftherios Lambros, Etienne Palos, and Sigbjørn Løland Bore, reflecting a consistent pattern of co-authorship and multidisciplinary teamwork across multiple publications.

Francesco Paesani was recognized as a Hellman Fellow in 2012, an award associated with early career support for scientific researchers.

Best Publications

  • Development of a "First Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient.

    Volodymyr Babin;Claude Leforestier;Francesco Paesani

  • Development of a "First Principles" Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters.

    Volodymyr Babin;Gregory R. Medders;Francesco Paesani

  • Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.

    Gerardo Andrés Cisneros;Kjartan Thor Wikfeldt;Lars Ojamäe;Jibao Lu

  • Development of a "First-Principles" Water Potential with Flexible Monomers. III. Liquid Phase Properties.

    Gregory R. Medders;Volodymyr Babin;Francesco Paesani

  • Special pair dance and partner selection: elementary steps in proton transport in liquid water.

    Omer Markovitch;Hanning Chen;Sergei Izvekov;Francesco Paesani

  • The properties of water: insights from quantum simulations.

    Francesco Paesani;Gregory A. Voth

  • An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport

    Yujie Wu;Hanning Chen;Feng Wang;Francesco Paesani

  • An accurate and simple quantum model for liquid water.

    Francesco Paesani;Wei Zhang;David A. Case;Thomas E. Cheatham

  • Infrared and Raman Spectroscopy of Liquid Water through "First-Principles" Many-Body Molecular Dynamics.

    Gregory R Medders;Francesco Paesani

  • Dissecting the Molecular Structure of the Air/Water Interface from Quantum Simulations of the Sum-Frequency Generation Spectrum

    Gregory R. Medders;Francesco Paesani

  • Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions.

    Francesco Paesani

  • On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

    Sandeep K. Reddy;Shelby C. Straight;Pushp Bajaj;C. Huy Pham

  • MIL-101(Fe) as a lithium-ion battery electrode material: a relaxation and intercalation mechanism during lithium insertion

    JaeWook Shin;Min Kim;Jordi Cirera;Shawn Chen

  • Quantum effects in liquid water from an ab initio-based polarizable force field.

    Francesco Paesani;Satoru Iuchi;Gregory A. Voth

  • Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

    Thuong T. Nguyen;Eszter Székely;Giulio Imbalzano;Jörg Behler

  • Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight

    Daiane Damasceno Borges;Sabine Devautour‐Vinot;Hervé Jobic;Jacques Ollivier

  • Toward a Universal Water Model: First Principles Simulations from the Dimer to the Liquid Phase

    Volodymyr Babin;Gregory R. Medders;Francesco Paesani

  • Ice Nucleation Efficiency of Hydroxylated Organic Surfaces Is Controlled by Their Structural Fluctuations and Mismatch to Ice

    Yuqing Qiu;Nathan Odendahl;Arpa Hudait;Ryan H Mason

  • A Critical Assessment of Two-Body and Three-Body Interactions in Water.

    Gregory R. Medders;Volodymyr Babin;Francesco Paesani

  • Electron affinity of liquid water

    Alex P. Gaiduk;Tuan Anh Pham;Marco Govoni;Marco Govoni;Francesco Paesani

  • The Water Hexamer: Cage, Prism, or Both. Full Dimensional Quantum Simulations Say Both

    Yimin Wang;Volodymyr Babin;Joel M. Bowman;Francesco Paesani

Frequent Co-Authors

F. A. Gianturco
F. A. Gianturco University of Innsbruck
Gregory A. Voth
Gregory A. Voth University of Chicago
Seth M. Cohen
Seth M. Cohen University of California, San Diego
Giulia Galli
Giulia Galli University of Chicago
Valeria Molinero
Valeria Molinero University of Utah
Franz M. Geiger
Franz M. Geiger Northwestern University
Teresa Head-Gordon
Teresa Head-Gordon University of California, Berkeley
Michele Ceriotti
Michele Ceriotti École Polytechnique Fédérale de Lausanne
Wei Xiong
Wei Xiong University of Pittsburgh
Nathan C. Gianneschi
Nathan C. Gianneschi Northwestern University

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