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Chemistry

D-Index
73
Citations
19622
World Ranking
4943
National Ranking
159

Overview

Agílio A. H. Pádua is affiliated with the École Normale Supérieure de Lyon in France and has contributed extensively to the fields of Chemical Engineering, Materials Science, and Engineering. Their research is concentrated in subfields including Catalysis, Materials Chemistry, Biomedical Engineering, Electrical and Electronic Engineering, and Electrochemistry.

The main topics of Pádua's work encompass:

  • Ionic liquids properties and applications
  • Phase Equilibria and Thermodynamics
  • Electrochemical Analysis and Applications
  • Carbon dioxide utilization in catalysis
  • Metal-Organic Frameworks: Synthesis and Applications
  • Crystallization and Solubility Studies
  • Chemical and Physical Properties in Aqueous Solutions

Pádua has published papers in notable journals and venues including:

  • The Journal of Physical Chemistry B
  • Physical Chemistry Chemical Physics
  • The Cambridge Structural Database
  • ACS Sustainable Chemistry & Engineering
  • The Journal of Chemical Physics

Recent key publications highlight diverse aspects of chemical and physical properties of liquids and solvents, as well as porous ionic materials. Selected papers include:

  • "Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations," 2021, Journal of Chemical Information and Modeling
  • "Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics," 2020, The Journal of Physical Chemistry B
  • "High-Performance Porous Ionic Liquids for Low-Pressure CO 2 Capture**," 2021, Angewandte Chemie International Edition
  • "Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids, and Deep Eutectic Solvents," 2021, Journal of Chemical Theory and Computation
  • "Porous Ionic Liquids: Structure, Stability, and Gas Absorption Mechanisms," 2021, Advanced Materials Interfaces

Frequently collaborating with other researchers, Pádua works with several co-authors including Margarida Costa Gomes, Kateryna Goloviznina, Jocasta Ávila, Frederik Philippi, and Daniel Rauber. These partnerships have contributed to numerous publications, reflecting a collaborative approach within the scientific community.

Best Publications

  • Nanostructural Organization in Ionic Liquids

    José N. A. Canongia Lopes;Agílio A. H. Pádua

  • Modeling Ionic Liquids Using a Systematic All-Atom Force Field

    José N. Canongia Lopes;Johnny Deschamps and;Agílio A. H. Pádua

  • Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions

    José N. Canongia Lopes;Agílio A. H. Pádua

  • Density and viscosity of several pure and water-saturated ionic liquids

    J. Jacquemin;P. Husson;A. A. H. Padua;V. Majer

  • Molecular force field for ionic liquids III: imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions.

    José N Canongia Lopes;Agílio A H Padua

  • Nonpolar, Polar, and Associating Solutes in Ionic Liquids

    José N. Canongia Lopes;Margarida F. Costa Gomes;Agílio A. H. Pádua

  • Molecular Solutes in Ionic Liquids: A Structural Perspective

    Agílio A. H. Pádua;Margarida F. Costa Gomes;José N. A. Canongia Lopes

  • CL&P: A generic and systematic force field for ionic liquids modeling

    José N. Canongia Lopes;Agílio A. H. Pádua;Agílio A. H. Pádua

  • Molecular force field for ionic liquids IV: trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions.

    José N Canongia Lopes;Agílio A H Padua;Karina Shimizu

  • Understanding the role of co-solvents in the dissolution of cellulose in ionic liquids

    Jean-Michel Andanson;Jean-Michel Andanson;Emilie Bordes;Emilie Bordes;Julien Devémy;Julien Devémy;Fabrice Leroux;Fabrice Leroux

  • Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water – a computational study

    V. Loukonen;T. Kurtén;I. K. Ortega;H. Vehkamäki

  • Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support

    Robert D. Chirico;Michael Frenkel;Joseph W. Magee;Vladimir Diky

  • Prediction of ionic liquid properties. I. Volumetric properties as a function of temperature at 0.1 MPa

    Johan Jacquemin;Rile Ge;Paul Nancarrow;David W. Rooney

  • Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations.

    Sachini P. Kadaoluwa Pathirannahalage;Sachini P. Kadaoluwa Pathirannahalage;Nastaran Meftahi;Aaron Elbourne;Alessia C. G. Weiss

  • Liquid structure of the ionic liquid 1,3-dimethylimidazolium bis[(trifluoromethyl)sulfonyl]amide.

    Maggel Deetlefs;Christopher Hardacre;Mark Nieuwenhuyzen;Agilio A H Padua

  • Molecular force field for ionic liquids v: hydroxyethylimidazolium, dimethoxy-2- methylimidazolium, and fluoroalkylimidazolium cations and bis(fluorosulfonyl)amide, perfluoroalkanesulfonylamide, and fluoroalkylfluorophosphate anions.

    Karina Shimizu;Dimitrios Almantariotis;Margarida F. Costa Gomes;Agílio. A. H. Pádua

  • Self-assembled nanostructures in ionic liquids facilitate charge storage at electrified interfaces

    Xianwen Mao;Xianwen Mao;Paul Brown;Ctirad Červinka;Ctirad Červinka;Gavin Hazell

  • Effect of fluorination and size of the alkyl side-chain on the solubility of carbon dioxide in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids.

    D. Almantariotis;T. Gefflaut;A. A. H. Pádua;J.-Y. Coxam

  • Porous Ionic Liquids or Liquid Metal–Organic Frameworks?

    Margarida Costa Gomes;Laure Pison;Ctirad Červinka;Ctirad Červinka;Agilio Padua

  • Transferable, Polarizable Force Field for Ionic Liquids.

    Kateryna Goloviznina;José N. Canongia Lopes;Margarida Costa Gomes;Agílio A. H. Pádua

  • Polarity, viscosity, and ionic conductivity of liquid mixtures containing [C4C1im][Ntf2] and a molecular component.

    J. N. Canongia Lopes;Margarida F. Costa Gomes;Margarida F. Costa Gomes;Pascale Husson;Agílio A. H. Pádua

  • Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations.

    Vishnu Sresht;Agílio A. H. Pádua;Agílio A. H. Pádua;Daniel Blankschtein

  • Solvation and stabilization of metallic nanoparticles in ionic liquids.

    Alfonso S. Pensado;Agílio A. H. Pádua

Frequent Co-Authors

Margarida F. Costa Gomes
Margarida F. Costa Gomes École Normale Supérieure de Lyon
José N. Canongia Lopes
José N. Canongia Lopes Instituto Superior Técnico
Johan Jacquemin
Johan Jacquemin François Rabelais University
Patrice Malfreyt
Patrice Malfreyt University of Clermont Auvergne
Barbara Kirchner
Barbara Kirchner University of Bonn
Christopher Hardacre
Christopher Hardacre University of Manchester
Luís Paulo N. Rebelo
Luís Paulo N. Rebelo Universidade Nova de Lisboa
Josefa Fernández
Josefa Fernández University of Santiago de Compostela
Yasuhiro Umebayashi
Yasuhiro Umebayashi Niigata University
William A. Wakeham
William A. Wakeham Imperial College London

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