Francesco Paesani

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 69

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

The journal of physical chemistry letters

Chemical science

University of California San Diego

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of California San Diego Jul 01 2009

United States

Professor :: Department of Chemistry and Biochemistry

Publications

Roya Savoj, Henry Agnew, Ruihan Zhou, Francesco Paesani
Molecular Insights into the Influence of Ions on the Water Structure. I. Alkali Metal Ions in Solution. The journal of physical chemistry. B (2024)
Kelly M Hunter, Francesco Paesani
Monitoring water harvesting in metal-organic frameworks, one water molecule at a time. Chemical science 15 (14) (2024)
Ching-Hwa Ho, Francesco Paesani
Entropy of Liquid Water as Predicted by the Two-Phase Thermodynamic Model and Data-Driven Many-Body Potentials. The journal of physical chemistry. B (2024)
Rachel S Ehrlich, Saswata Dasgupta, R Erin Jessup, Kristine L Teppang, Alexander L Shiao, Kun Yong Jeoung, Xuanmin Su, Aashish Shivkumar, Emmanuel A Theodorakis, Francesco Paesani, Jerry Yang
Excited State Rotational Freedom Impacts Viscosity Sensitivity in Arylcyanoamide Fluorescent Molecular Rotor Dyes. The journal of physical chemistry. B 128 (16) (2024)
Kelly M Hunter, Francesco Paesani
Monitoring water harvesting in metal-organic frameworks, one water molecule at a time. Chemical science 15 (14) (2024)
Ching-Hwa Ho, Francesco Paesani
Entropy of Liquid Water as Predicted by the Two-Phase Thermodynamic Model and Data-Driven Many-Body Potentials. The journal of physical chemistry. B 128 (28) (2024)
Roya Savoj, Henry Agnew, Ruihan Zhou, Francesco Paesani
Molecular Insights into the Influence of Ions on the Water Structure. I. Alkali Metal Ions in Solution. The journal of physical chemistry. B 128 (8) (2024)
Rachel S Ehrlich, Saswata Dasgupta, R Erin Jessup, Kristine L Teppang, Alexander L Shiao, Kun Yong Jeoung, Xuanmin Su, Aashish Shivkumar, Emmanuel A Theodorakis, Francesco Paesani, Jerry Yang
Excited State Rotational Freedom Impacts Viscosity Sensitivity in Arylcyanoamide Fluorescent Molecular Rotor Dyes. The journal of physical chemistry. B (2024)
Saswata Dasgupta, Etienne Palos, Yuanhui Pan, Francesco Paesani
Balance between Physical Interpretability and Energetic Predictability in Widely Used Dispersion-Corrected Density Functionals. Journal of chemical theory and computation (2023)
Ching-Hwa Ho, Francesco Paesani
Elucidating the Competitive Adsorption of H 2 O and CO 2 in CALF-20: New Insights for Enhanced Carbon Capture Metal-Organic Frameworks. ACS applied materials & interfaces (2023)
Thomas M Rayder, Filip Formalik, Simon M Vornholt, Hilliary Frank, Seryeong Lee, Maytham Alzayer, Zhihengyu Chen, Debabrata Sengupta, Timur Islamoglu, Francesco Paesani, Karena W Chapman, Randall Q Snurr, Omar K Farha
Unveiling Unexpected Modulator-CO 2 Dynamics within a Zirconium Metal-Organic Framework. Journal of the American Chemical Society (2023)
Xuanyu Zhu, Marc Riera, Ethan F Bull-Vulpe, Francesco Paesani
MB-pol(2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid Phase. Journal of chemical theory and computation (2023)
Yaoguang Zhai, Alessandro Caruso, Sigbjørn Løland Bore, Zhishang Luo, Francesco Paesani
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? The Journal of chemical physics 158 (8) (2023)
Saswata Dasgupta, Etienne Palos, Yuanhui Pan, Francesco Paesani
Balance between Physical Interpretability and Energetic Predictability in Widely Used Dispersion-Corrected Density Functionals. Journal of chemical theory and computation 20 (1) (2023)
Sigbjørn Løland Bore, Francesco Paesani
Realistic phase diagram of water from "first principles" data-driven quantum simulations. Nature communications 14 (1) (2023)
Ruihan Zhou, Marc Riera, Francesco Paesani
Toward Data-Driven Many-Body Simulations of Biomolecules in Solution: N -Methyl Acetamide as a Proxy for the Protein Backbone. Journal of chemical theory and computation (2023)
Ching-Hwa Ho, Mason L Valentine, Zhijie Chen, Haomiao Xie, Omar Farha, Wei Xiong, Francesco Paesani
Structure and thermodynamics of water adsorption in NU-1500-Cr. Communications chemistry 6 (1) (2023)
Raja Ghosh, Francesco Paesani
Connecting the dots for fundamental understanding of structure-photophysics-property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein Formalism. Chemical science 14 (5) (2022)
Raja Ghosh, Francesco Paesani
Connecting the dots for fundamental understanding of structure-photophysics-property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein Formalism. Chemical science 14 (5) (2022)
Chenghan Li, Francesco Paesani, Gregory A Voth
Static and Dynamic Correlations in Water: Comparison of Classical Ab Initio Molecular Dynamics at Elevated Temperature with Path Integral Simulations at Ambient Temperature. Journal of chemical theory and computation 18 (4) (2022)
Etienne Palos, Eleftherios Lambros, Steven Swee, Jie Hu, Saswata Dasgupta, Francesco Paesani
Assessing the Interplay between Functional-Driven and Density-Driven Errors in DFT Models of Water. Journal of chemical theory and computation 18 (6) (2022)
Saswata Dasgupta, Chandra Shahi, Pradeep Bhetwal, John P Perdew, Francesco Paesani
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density? Journal of chemical theory and computation 18 (8) (2022)
Ethan F Bull-Vulpe, Marc Riera, Sigbjørn L Bore, Francesco Paesani
Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application. Journal of chemical theory and computation (2022)
Debbie Zhuang, Marc Riera, Ruihan Zhou, Alexander Deary, Francesco Paesani
Hydration Structure of Na + and K + Ions in Solution Predicted by Data-Driven Many-Body Potentials. The journal of physical chemistry. B 126 (45) (2022)
Thomas E Gartner Iii, Kelly M Hunter, Eleftherios Lambros, Alessandro Caruso, Marc Riera, Gregory R Medders, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, Francesco Paesani
Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model. The journal of physical chemistry letters 13 (16) (2022)
Alessandro Caruso, Xuanyu Zhu, John L Fulton, Francesco Paesani
Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials. The journal of physical chemistry. B 126 (41) (2022)
Eleftherios Lambros, Jie Hu, Francesco Paesani
Assessing the Accuracy of the SCAN Functional for Water through a Many-Body Analysis of the Adiabatic Connection Formula. Journal of chemical theory and computation 17 (6) (2021)
Alessandro Caruso, Francesco Paesani
Data-driven many-body models enable a quantitative description of chloride hydration from clusters to bulk. The Journal of chemical physics 155 (6) (2021)
Raja Ghosh, Francesco Paesani
Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge transport in covalent organic frameworks. Chemical science 12 (24) (2021)
Ethan F Bull-Vulpe, Marc Riera, Andreas W Götz, Francesco Paesani
MB-Fit: Software infrastructure for data-driven many-body potential energy functions. The Journal of chemical physics 155 (12) (2021)
Vinícius Wilian D Cruzeiro, Andrew Wildman, Xiaosong Li, Francesco Paesani
Relationship between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water. The journal of physical chemistry letters 12 (16) (2021)
Vinícius Wilian D Cruzeiro, Eleftherios Lambros, Marc Riera, Ronak Roy, Francesco Paesani, Andreas W Götz
Highly Accurate Many-Body Potentials for Simulations of N2O5 in Water: Benchmarks, Development, and Validation. Journal of chemical theory and computation 17 (7) (2021)
Raja Ghosh, Francesco Paesani
Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks. The journal of physical chemistry letters 12 (39) (2021)
Eleftherios Lambros, Saswata Dasgupta, Etienne Palos, Steven Swee, Jie Hu, Francesco Paesani
General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study. Journal of chemical theory and computation 17 (9) (2021)
Jackson C Wagner, Kelly M Hunter, Francesco Paesani, Wei Xiong
Water Capture Mechanisms at Zeolitic Imidazolate Framework Interfaces. Journal of the American Chemical Society (2021)
Saswata Dasgupta, Eleftherios Lambros, John P Perdew, Francesco Paesani
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism. Nature communications 12 (1) (2021)
Eleftherios Lambros, Filippo Lipparini, Gerardo Andrés Cisneros, Francesco Paesani
A Many-Body, Fully Polarizable Approach to QM/MM Simulations. Journal of chemical theory and computation 16 (12) (2020)
Marc Riera, Eric P Yeh, Francesco Paesani
Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study. Journal of chemical theory and computation 16 (4) (2020)
Kartik Lakshmi Rallapalli, Alexis C Komor, Francesco Paesani
Computer simulations explain mutation-induced effects on the DNA editing by adenine base editors. Science advances 6 (10) (2020)
Colin K Egan, Brandon B Bizzarro, Marc Riera, Francesco Paesani
Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II. Journal of chemical theory and computation 16 (5) (2020)
Colin K Egan, Brandon B Bizzarro, Marc Riera, Francesco Paesani
Correction to "Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II". Journal of chemical theory and computation 16 (8) (2020)
Marc Riera, Alan Hirales, Raja Ghosh, Francesco Paesani
Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures. The journal of physical chemistry. B 124 (49) (2020)
Pushp Bajaj, Marc Riera, Jason K Lin, Yaira E Mendoza Montijo, Jessica Gazca, Francesco Paesani
Halide Ion Microhydration: Structure, Energetics, and Spectroscopy of Small Halide-Water Clusters. The journal of physical chemistry. A 123 (13) (2019)
Colin K Egan, Francesco Paesani
Assessing Many-Body Effects of Water Self-Ions. II: H3O+(H2O)n Clusters. Journal of chemical theory and computation 15 (9) (2019)
Debbie Zhuang, Marc Riera, Gregory K Schenter, John L Fulton, Francesco Paesani
Many-Body Effects Determine the Local Hydration Structure of Cs+ in Solution. The journal of physical chemistry letters 10 (3) (2019)
Marc Riera, Eleftherios Lambros, Thuong T Nguyen, Andreas W Götz, Francesco Paesani
Low-order many-body interactions determine the local structure of liquid water. Chemical science 10 (35) (2019)
Brandon B Bizzarro, Colin K Egan, Francesco Paesani
Nature of Halide-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. Journal of chemical theory and computation 15 (5) (2019)
Adeayo O Ajala, Vamsee Voora, Narbe Mardirossian, Filipp Furche, Francesco Paesani
Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene. Journal of chemical theory and computation 15 (4) (2019)
Daniel R Moberg, Qin Li, Sandeep K Reddy, Francesco Paesani
Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy. The Journal of chemical physics 150 (3) (2019)
Pushp Bajaj, Debbie Zhuang, Francesco Paesani
Specific Ion Effects on Hydrogen-Bond Rearrangements in the Halide-Dihydrate Complexes. The journal of physical chemistry letters 10 (11) (2019)
Adam J Rieth, Kelly M Hunter, Mircea Dincǎ, Francesco Paesani
Hydrogen bonding structure of confined water templated by a metal-organic framework with open metal sites. Nature communications 10 (1) (2019)
Pushp Bajaj, Jeremy O Richardson, Francesco Paesani
Ion-mediated hydrogen-bond rearrangement through tunnelling in the iodide-dihydrate complex. Nature chemistry 11 (4) (2019)
Kelly M Hunter, Farnaz A Shakib, Francesco Paesani
Disentangling Coupling Effects in the Infrared Spectra of Liquid Water. The journal of physical chemistry. B 122 (47) (2018)
Michael S Denny, Lucas R Parent, Joseph P Patterson, Santosh Kumar Meena, Cong Huy Pham, Patricia Abellan, Quentin M Ramasse, Francesco Paesani, Nathan C Gianneschi, Seth M Cohen
Transmission Electron Microscopy Reveals Deposition of Metal Oxide Coatings onto Metal-Organic Frameworks. Journal of the American Chemical Society 140 (4) (2018)
Thuong T Nguyen, Eszter Székely, Giulio Imbalzano, Jörg Behler, Gábor Csányi, Michele Ceriotti, Andreas W Götz, Francesco Paesani
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. The Journal of chemical physics 148 (24) (2018)
Daniel R Moberg, Shelby C Straight, Francesco Paesani
Temperature Dependence of the Air/Water Interface Revealed by Polarization Sensitive Sum-Frequency Generation Spectroscopy. The journal of physical chemistry. B 122 (15) (2018)
Alex P Gaiduk, Tuan Anh Pham, Marco Govoni, Francesco Paesani, Giulia Galli
Electron affinity of liquid water. Nature communications 9 (1) (2018)
Daniel R Moberg, Peter J Sharp, Francesco Paesani
Molecular-Level Interpretation of Vibrational Spectra of Ordered Ice Phases. The journal of physical chemistry. B 122 (46) (2018)
Colin K Egan, Francesco Paesani
Assessing Many-Body Effects of Water Self-Ions. I: OH-(H2O) n Clusters. Journal of chemical theory and computation 14 (4) (2018)
Sanghamitra Sengupta, Daniel R Moberg, Francesco Paesani, Eric C Tyrode
Neat Water-Vapor Interface: Proton Continuum and the Nonresonant Background. The journal of physical chemistry letters 9 (23) (2018)
Marc Riera, Sandra E Brown, Francesco Paesani
Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M+(H2O) n=1-3 Clusters, with M = Li, Na, K, Rb, and Cs, through Many-Body Representations. The journal of physical chemistry. A 122 (27) (2018)
Cong Huy Pham, Francesco Paesani
Guest-Dependent Stabilization of the Low-Spin State in Spin-Crossover Metal-Organic Frameworks. Inorganic chemistry 57 (16) (2018)
Arpa Hudait, Nathan Odendahl, Yuqing Qiu, Francesco Paesani, Valeria Molinero
Ice-Nucleating and Antifreeze Proteins Recognize Ice through a Diversity of Anchored Clathrate and Ice-like Motifs. Journal of the American Chemical Society 140 (14) (2018)
Paul E Ohno, Hong-Fei Wang, Francesco Paesani, James L Skinner, Franz M Geiger
Second-Order Vibrational Lineshapes from the Air/Water Interface. The journal of physical chemistry. A 122 (18) (2018)
Lucas R Parent, Cong Huy Pham, Joseph P Patterson, Michael S Denny, Seth M Cohen, Nathan C Gianneschi, Francesco Paesani
Pore Breathing of Metal-Organic Frameworks by Environmental Transmission Electron Microscopy. Journal of the American Chemical Society 139 (40) (2017)
Sandra E Brown, Andreas W Götz, Xiaolu Cheng, Ryan P Steele, Vladimir A Mandelshtam, Francesco Paesani
Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy. Journal of the American Chemical Society 139 (20) (2017)
Bo Xiang, Yingmin Li, Cong Huy Pham, Francesco Paesani, Wei Xiong
Ultrafast direct electron transfer at organic semiconductor and metal interfaces. Science advances 3 (11) (2017)
C Huy Pham, Sandeep K Reddy, Karl Chen, Christopher Knight, Francesco Paesani
Many-Body Interactions in Ice. Journal of chemical theory and computation 13 (4) (2017)
Daniel R Moberg, Shelby C Straight, Christopher Knight, Francesco Paesani
Molecular Origin of the Vibrational Structure of Ice Ih. The journal of physical chemistry letters 8 (12) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Francesco Paesani