E. Guàrdia

Universitat Politècnica de Catalunya — Spain

Physics and Astronomy · Physical Sciences

38h-index4.4kcitations109works1.32yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(86), Thermodynamic properties of mixtures(38), Phase Equilibria and Thermodynamics(17), Material Dynamics and Properties(17), Chemical and Physical Properties in Aqueous Solutions(15)

Publications109 total

Structural transitions in liquid water at high temperatures and pressures: Evidence from molecular simulations
The Journal of Chemical Physics·2026Open Access
Molecular Dynamics of High‐Pressure Liquid Water: Going from Ambient to Near‐Critical Temperatures
Chemistry - A European Journal·2025· 1 citedOpen Access
Accurate coarse grained models for protein association and recognition
Advances in protein chemistry and structural biology·2025· 1 cited
A comprehensive molecular dynamics simulation of plastic and liquid succinonitrile: Structural, dynamic, and dielectric properties
The Journal of Chemical Physics·2024· 3 citedOpen Access
Computer simulation study of ion-water and water-water hydrogen bonds in methanesulfonic acid solutions at room temperature
Journal of Molecular Liquids·2023· 3 citedOpen Access
Fingerprints of the Crossing of the Frenkel and Melting Line on the Properties of High-Pressure Supercritical Water
The Journal of Physical Chemistry Letters·2022· 6 citedOpen Access
Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water
Journal of Molecular Liquids·2022· 15 citedOpen Access
Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water
arXiv (Cornell University)·2022Open Access
Computer simulation study of ion-water and water-water hydrogen bonds in sulfuric acid solutions at low temperatures
Journal of Molecular Liquids·2021· 15 citedOpen Access
On the Different Faces of the Supercritical Phase of Water at a Near-Critical Temperature: Pressure-Induced Structural Transitions Ranging from a Gaslike Fluid to a Plastic Crystal Polymorph
The Journal of Physical Chemistry B·2021· 20 citedOpen Access
Structure and dynamics of water plastic crystals from computer simulations
The Journal of Chemical Physics·2021· 12 citedOpen Access
Effect of the Water Model in Simulations of Protein–Protein Recognition and Association
Polymers·2021· 24 citedOpen Access
Hydration Structure and Dynamics of the Favipiravir Antiviral Drug: A Molecular Modelling Approach
Bulletin of the Chemical Society of Japan·2020· 3 citedOpen Access
Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach
The Journal of Chemical Physics·2020· 4 citedOpen Access
On the microscopic origin of the cryoprotective effect in lysine solutions
Physical Chemistry Chemical Physics·2020· 11 citedOpen Access
Water-water and ion-water hydrogen bonding in sulfuric acid solutions
Journal of Molecular Liquids·2019· 24 citedOpen Access
Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water
The Journal of Supercritical Fluids·2017· 51 citedOpen Access
A comparative molecular dynamics study of sulfuric and methanesulfonic acids
Journal of Molecular Liquids·2016· 14 cited
Structural and dipolar fluctuations in liquid water: A Car–Parrinello molecular dynamics study
Chemical Physics Letters·2016· 20 citedOpen Access
The structure of liquid water beyond the first hydration shell
Physical Chemistry Chemical Physics·2016· 21 citedOpen Access
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Frequent Co-authors

J. A. Padró(23), Jordi Martı́(19), Leonor Saiz(6), Ioannis Skarmoutsos(6), Jonàs Sala(5), Rossend Rey(4), Daniel Laría(4), Gemma Sesé(4), G. Nagy(3), M. C. Gordillo(3), Marco Masia(3), Lino García-Tarrés(2), Reinhardt Pinzón(2), Jannis Samios(2), M. San Miguel(2), Susana G. Kalko(2), Andrei V. Komolkin(1), Joan-Àngel Padró(1), J. Casulleras(1), Modesto Orozco(1)