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Athanassios Z. Panagiotopoulos

Athanassios Z. Panagiotopoulos

D-Index & Metrics

Chemistry

D-Index
87
Citations
30040
World Ranking
2381
National Ranking
844

Research.com Recognitions

  • 2012 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2012 - Fellow of the American Academy of Arts and Sciences
  • 2004 - Member of the National Academy of Engineering For the invention of the Gibbs ensemble method of molecular simulation of phase equilibrium and the development of computational techniques for studying complex fluids.

Overview

Athanassios Z. Panagiotopoulos is affiliated with Princeton University in the United States. Their research spans multiple fields in engineering and materials science with strong emphasis on materials chemistry, molecular biology, atomic and molecular physics, optics, electrical and electronic engineering, and biomedical engineering. The scientist's work notably intersects with topics such as machine learning in materials science, spectroscopy and quantum chemical studies, phase equilibria and thermodynamics, chemical and physical properties in aqueous solutions, RNA research and splicing, molten salt chemistry and electrochemical processes, as well as material dynamics and properties.

The scientist's recent papers highlight contributions to understanding water's behavior and computational models in chemistry and physics. These include:

  • "Signatures of a liquid-liquid transition in an ab initio deep neural network model for water" (2020) published in Proceedings of the National Academy of Sciences
  • "A deep potential model with long-range electrostatic interactions" (2022) in The Journal of Chemical Physics
  • "When do short-range atomistic machine-learning models fall short?" (2021) also in The Journal of Chemical Physics
  • "Dissolving salt is not equivalent to applying a pressure on water" (2022) in Nature Communications
  • "Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional" (2021) in Journal of Chemical Theory and Computation

Frequent collaborators have included:

  • Roberto Car
  • Pablo G. Debenedetti
  • Shuwen Yue
  • Pablo M. Piaggi
  • Maria Carolina Muniz

Publication venues where the scientist has frequently published consist of:

  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry B
  • arXiv (Cornell University)
  • Journal of Chemical Theory and Computation
  • Macromolecules

Athanassios Z. Panagiotopoulos' research integrates computational techniques and simulations, especially in complex fluids and phase equilibrium, aligning with the scientist's recognized areas of expertise. They have contributed to advancements in machine learning applications within materials science and have addressed fundamental questions related to chemical and physical properties of aqueous solutions and phase behavior of water.

The scientist has been acknowledged through several awards, including being named a Fellow of the American Association for the Advancement of Science in 2012, a Fellow of the American Academy of Arts and Sciences the same year, and membership in the National Academy of Engineering since 2004 for inventing the Gibbs ensemble method of molecular simulation of phase equilibrium and developing computational techniques for studying complex fluids.

Best Publications

  • Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

    Athanassios Z. Panagiotopoulos

  • Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

    Unknown

  • Phase equilibria by simulation in the Gibbs ensemble

    A.Z. Panagiotopoulos;N. Quirke;M. Stapleton;D.J. Tildesley

  • Anisotropic self-assembly of spherical polymer-grafted nanoparticles

    Pinar Akcora;Hongjun Liu;Sanat K. Kumar;Joseph Moll

  • Water: A Tale of Two Liquids

    Paola Gallo;Katrin Amann-Winkel;Charles Austen Angell;Mikhail Alexeevich Anisimov

  • Metastable liquid–liquid transition in a molecular model of water

    Jeremy C. Palmer;Fausto Martelli;Yang Liu;Roberto Car

  • Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture

    Jeffrey J. Potoff;Athanassios Z. Panagiotopoulos

  • Monte Carlo methods for phase equilibria of fluids

    Athanassios Z Panagiotopoulos

  • Direct Determination of Fluid Phase Equilibria by Simulation in the Gibbs Ensemble: A Review

    Athanassios Z. Panagiotopoulos

  • Adsorption and capillary condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble

    Athanassios Z. Panagiotopoulos;Athanassios Z. Panagiotopoulos

  • Molecular structural order and anomalies in liquid silica.

    M. Scott Shell;Pablo G. Debenedetti;Athanassios Z. Panagiotopoulos

  • Generalization of the Wang-Landau method for off-lattice simulations.

    M. Scott Shell;Pablo G. Debenedetti;Athanassios Z. Panagiotopoulos

  • Phase behavior of the restricted primitive model and square-well fluids from Monte Carlo simulations in the grand canonical ensemble

    Gerassimos Orkoulas;Athanassios Z. Panagiotopoulos

  • NEW MIXING RULE FOR CUBIC EQUATIONS OF STATE FOR HIGHLY POLAR, ASYMMETRIC SYSTEMS.

    A. Z. Panagiotopoulos;R. C. Reid

  • Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

    Gerassimos Orkoulas;Athanassios Z. Panagiotopoulos

  • Reactive canonical Monte Carlo : a new simulation technique for reacting or associating fluids

    J. Karl Johnson;Athanassios Z. Panagiotopoulos;Keith E. Gubbins

  • A deep potential model with long-range electrostatic interactions.

    Unknown

  • A New Intermolecular Potential Model for the n-Alkane Homologous Series

    Jeffrey R. Errington and;Athanassios Z. Panagiotopoulos

  • MOLECULAR STRUCTURE AND MAGNETIC PROPERTIES OF ACETATO-BRIDGED LANTHANIDE(III) DIMERS

    Athanassios Panagiotopoulos;Theodoros F. Zafiropoulos;Spyros P. Perlepes;Evangelos Bakalbassis

  • Micellization in Model Surfactant Systems

    M. Antonio Floriano† and;Eugenio Caponetti;Athanassios Z. Panagiotopoulos

  • Universality class of criticality in the restricted primitive model electrolyte.

    Erik Luijten;Michael E. Fisher;Athanassios Z. Panagiotopoulos

  • Phase Equilibria of Lattice Polymers from Histogram Reweighting Monte Carlo Simulations

    Athanassios Z. Panagiotopoulos;Vicky Wong;M. Antonio Floriano

Frequent Co-Authors

Pablo G. Debenedetti
Pablo G. Debenedetti Princeton University
Sanat K. Kumar
Sanat K. Kumar Columbia University
Ioannis G. Economou
Ioannis G. Economou Texas A&M University at Qatar
Jeffrey R. Errington
Jeffrey R. Errington University at Buffalo, State University of New York
Christos N. Likos
Christos N. Likos University of Vienna
Ioannis G. Kevrekidis
Ioannis G. Kevrekidis Johns Hopkins University
Richard A. Register
Richard A. Register Princeton University
Keith E. Gubbins
Keith E. Gubbins North Carolina State University
Michael E. Fisher
Michael E. Fisher University of Maryland, College Park
Igal Szleifer
Igal Szleifer Northwestern University

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