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Scopus Author ID: 16030782200
ResearcherID: J-6313-2017

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Funding (3)

Computer Simulation of the Dissolution and Regeneration of Cellulose from Ionic Liquids

Source: Self-asserted source
Gyorgy Hantal via DimensionsWizard

Investigation of interfacial systems of biological or environmental relevance by computer simulation methods

Source: Self-asserted source
Gyorgy Hantal via DimensionsWizard

Equilibrium, structure and dynamics of liquid-liquid interfaces involving ionic liquids

Source: Self-asserted source
Gyorgy Hantal via DimensionsWizard

Works (44)

The Surface of Imidazolium-Based Ionic Liquids Consists of Two Interfaces

The Journal of Physical Chemistry Letters
2025-02-27 | Journal article
DOI: 10.1021/acs.jpclett.5c00060
Contributors: Helga Tóth Ugyonka; György Hantal; István Szilágyi; Abdenacer Idrissi; Miguel Jorge; Pál Jedlovszky
Source: check_circle
Crossref

Docking Structures Induced by Substitution Motifs of Softwood Xylan at Various Cellulose Surfaces

Biomacromolecules
2025-02-10 | Journal article
DOI: 10.1021/acs.biomac.4c01215
Contributors: György Hantal; Lennart Salmén; Barbara Hinterstoisser
Source: check_circle
Crossref

Single Particle Dynamics at the Free Surface of Imidazolium-Based Ionic Liquids

The Journal of Physical Chemistry B
2025-01-09 | Journal article
DOI: 10.1021/acs.jpcb.4c07311
Contributors: Helga Tóth Ugyonka; György Hantal; István Szilágyi; Abdenacer Idrissi; Miguel Jorge; Pál Jedlovszky
Source: check_circle
Crossref

Influence of molecular hydrogen on bulk and interfacial properties of three imidazolium-based ionic liquids by experiments and molecular dynamics simulations

International Journal of Hydrogen Energy
2024-06 | Journal article
DOI: 10.1016/j.ijhydene.2024.05.249
Contributors: Ziwen Zhai; György Hantal; Arsha Cherian; Alexander Bergen; Junyu Chu; Christian R. Wick; Karsten Meyer; Ana-Sunčana Smith; Thomas M. Koller
Source: check_circle
Crossref

Computer Simulation Insights into the Chemical Origins of Life: Can HCN Enrichment on Interstellar Amorphous Ice Be a Starting Point?

ACS Earth and Space Chemistry
2024-03-21 | Journal article
DOI: 10.1021/acsearthspacechem.3c00299
Contributors: Helga Tóth Ugyonka; György Hantal; Milán Szőri; Pál Jedlovszky
Source: check_circle
Crossref

Local structure of liquid/vapour interfaces approaching the critical point

Soft Matter
2023 | Journal article
DOI: 10.1039/D3SM00176H
Contributors: György Hantal; Pál Jedlovszky; Marcello Sega
Source: check_circle
Crossref

Does the Sign of Charge Affect the Surface Affinity of Simple Ions?

The Journal of Physical Chemistry B
2023-07-13 | Journal article
DOI: 10.1021/acs.jpcb.3c02641
Contributors: György Hantal; Martin Klíma; Louisa McFegan; Jiří Kolafa; Pál Jedlovszky
Source: check_circle
Crossref

Understanding the Molecular Mechanism of Anesthesia: Effect of General Anesthetics and Structurally Similar Non-Anesthetics on the Properties of Lipid Membranes

The Journal of Physical Chemistry B
2023-07-13 | Journal article
DOI: 10.1021/acs.jpcb.3c02976
Contributors: Zsófia B. Rózsa; György Hantal; Milán Szőri; Balázs Fábián; Pál Jedlovszky
Source: check_circle
Crossref

Surface Affinity of Tetramethylammonium Iodide in Aqueous Solutions: A Combined Experimental and Computer Simulation Study

The Journal of Physical Chemistry B
2023-06-15 | Journal article
DOI: 10.1021/acs.jpcb.3c01370
Contributors: Louisa McFegan; Ákos Juhász; Péter Márton; Zoltán Hórvölgyi; Angela Jedlovszky-Hajdu; György Hantal; Pál Jedlovszky
Source: check_circle
Crossref

Stability of the high-density Jagla liquid in 2D: sensitivity to parameterisation

Soft Matter
2022 | Journal article
DOI: 10.1039/D2SM00491G
Contributors: Livia B. Pártay; György Hantal
Source: check_circle
Crossref

Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. II: Role of the Size and Charge Sign of the Counterions

The Journal of Physical Chemistry B
2021-08-12 | Journal article
DOI: 10.1021/acs.jpcb.1c04216
Contributors: György Hantal; Marcello Sega; George Horvai; Pál Jedlovszky
Source: check_circle
Crossref

Insight into Liquid Polymorphism from the Complex Phase Behavior of a Simple Model

Physical Review Letters
2021-06-29 | Journal article
DOI: 10.1103/PhysRevLett.127.015701
Contributors: Albert P. Bartók; György Hantal; Livia B. Pártay
Source: check_circle
Crossref

Single-Particle Dynamics at the Intrinsic Surface of Aqueous Alkali Halide Solutions

The Journal of Physical Chemistry B
2021-01-21 | Journal article
DOI: 10.1021/acs.jpcb.0c09989
Contributors: György Hantal; Jiří Kolafa; Marcello Sega; Pál Jedlovszky
Source: check_circle
Crossref

Surface Affinity of Alkali and Halide Ions in Their Aqueous Solution: Insight from Intrinsic Density Analysis

The Journal of Physical Chemistry B
2020-11-05 | Journal article
DOI: 10.1021/acs.jpcb.0c05547
Contributors: György Hantal; Réka A. Horváth; Jiří Kolafa; Marcello Sega; Pál Jedlovszky
Source: check_circle
Crossref

Role of the Counterions in the Surface Tension of Aqueous Surfactant Solutions. A Computer Simulation Study of Alkali Dodecyl Sulfate Systems

Colloids and Interfaces
2020-04 | Journal article | Author
DOI: 10.3390/colloids4020015
Contributors: Gyorgy Hantal; Marcello Sega; George Horvai; Pal Jedlovszky
Source: check_circle
Multidisciplinary Digital Publishing Institute
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Preferred source (of 2)‎

Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions

The Journal of Physical Chemistry C
2019-07-11 | Journal article
DOI: 10.1021/acs.jpcc.9b02553
Contributors: György Hantal; Marcello Sega; George Horvai; Pál Jedlovszky
Source: check_circle
Crossref

Adsorption of Methylamine on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry A
2018-04-05 | Journal article
DOI: 10.1021/acs.jpca.8b01591
Contributors: Réka A. Horváth; György Hantal; Sylvain Picaud; Milán Szőri; Pál Jedlovszky
Source: check_circle
Crossref

Phase and interface determination in computer simulations of liquid mixtures with high partial miscibility

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/C7CP02918G
Contributors: Marcello Sega; György Hantal
Source: check_circle
Crossref

Capturing material toughness by molecular simulation: accounting for large yielding effects and limits

International Journal of Fracture
2015 | Journal article
DOI: 10.1007/s10704-015-0045-y
EID:

2-s2.0-84945469429
Contributors: Brochard, L.; Hantal, G.; Laubie, H.; Ulm, F.-J.; Pellenq, R.J.M.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids

Journal of Physical Chemistry C
2015 | Journal article
DOI: 10.1021/acs.jpcc.5b09810
EID:

2-s2.0-84952879156
Contributors: Hantal, G.; Sega, M.; Kantorovich, S.; Schröder, C.; Jorge, M.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Properties of the liquid-vapor interface of acetone-methanol mixtures, as seen from computer simulation and ITIM surface analysis

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c4cp05974c
EID:

2-s2.0-84961288552
Contributors: Idrissi, A.; Hantal, G.; Jedlovszky, P.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Atomic-scale modelling of elastic and failure properties of clays

Molecular Physics
2014 | Journal article
DOI: 10.1080/00268976.2014.897393
EID:

2-s2.0-84901199577
Contributors: Hantal, G.; Brochard, L.; Laubie, H.; Ebrahimi, D.; Pellenq, R.J.-M.; Ulm, F.-J.; Coasne, B.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Surface chemistry and atomic-scale reconstruction of kerogen-silica composites

Journal of Physical Chemistry C
2014 | Journal article
DOI: 10.1021/jp406329n
EID:

2-s2.0-84893849030
Contributors: Hantal, G.; Brochard, L.; Dias Soeiro Cordeiro, M.N.; Ulm, F.J.; Pellenq, R.J.-M.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Adsorption of aromatic hydrocarbon molecules at the surface of ice, as seen by grand canonical monte carlo simulation

Journal of Physical Chemistry C
2013 | Journal article
DOI: 10.1021/jp401532x
EID:

2-s2.0-84875858117
Contributors: Mészár, Z.E.; Hantal, G.; Picaud, S.; Jedlovszky, P.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Fracture mechanisms in organic-rich shales: role of kerogen

Poromechanics V. Proceedings of the Fifth Biot Conference on Poromechanics
2013 | Journal article
WOSUID:

INSPEC:13904275
Contributors: Brochard, L.; Hantal, G.; Laubie, H.; Ulm, F.J.; Pellenq, R.J.-M.
Source: Self-asserted source
Gyorgy Hantal via ResearcherID

Fracture mechanisms in organic-rich shales: Role of kerogen

Poromechanics V - Proceedings of the 5th Biot Conference on Poromechanics
2013 | Conference paper
DOI: 10.1061/9780784412992.288
EID:

2-s2.0-84887389577
Contributors: Brochard, L.; Hantal, G.; Laubie, H.; Ulm, F.J.; Pellenq, R.J.-M.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods

Physical Chemistry Chemical Physics
2012 | Journal article
DOI: 10.1039/c2cp23967a
EID:

2-s2.0-84858973681
Contributors: Hantal, G.; Voroshylova, I.; Cordeiro, M.N.D.S.; Jorge, M.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

A new semi-empirical model for the oxidation of polycyclic aromatic hydrocarbon (PAHs) molecules physisorbed on soot. II. application to the reaction PAH + OH for a series of large PAH molecules

Computational and Theoretical Chemistry
2011 | Journal article
DOI: 10.1016/j.comptc.2010.10.048
EID:

2-s2.0-84855166351
Contributors: Oubal, M.; Hantal, G.; Picaud, S.; Hoang, P.N.M.; Liotard, D.; Rayez, M.T.; Rayez, J.C.; Villenave, E.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Adsorption of small, partially oxidized hydrocarbons at the surface of ice, as seen by grand canonical Monte Carlo simulations

ACS National Meeting Book of Abstracts
2011 | Conference paper
EID:

2-s2.0-84861072270
Contributors: Jedlovszky, P.; Darvas, M.; Hantal, G.; Hoang, P.N.M.; Picaud, S.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

Physical Chemistry Chemical Physics
2011 | Journal article
DOI: 10.1039/c1cp22639h
EID:

2-s2.0-82655183560
Contributors: Hantal, G.; Cordeiro, M.N.D.S.; Jorge, M.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

A critical assessment of methods for the intrinsic analysis of liquid interfaces: 2. Density profiles

Journal of Physical Chemistry C
2010 | Journal article
DOI: 10.1021/jp107378s
EID:

2-s2.0-78650399141
Contributors: Jorge, M.; Hantal, G.; Jedlovszky, P.; Cordeiro, M.N.D.S.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

Langmuir
2010 | Journal article
DOI: 10.1021/la100169h
WOSUID:

WOS:000278427600061
Contributors: Petitjean, Melanie; Hantal, Gyoergy; Chauvin, Coline; Mirabel, Philippe; Le Calve, Stephane; Hoang, Paul N. M.; Picaud, Sylvain; Jedlovszky, Pal
Source: Self-asserted source
Gyorgy Hantal via ResearcherID

Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results

Journal of Physics Condensed Matter
2010 | Journal article
DOI: 10.1088/0953-8984/22/28/284112
EID:

2-s2.0-77955976155
Contributors: Hantal, G.; Darvas, M.; Pártay, L.B.; Horvai, G.; Jedlovszky, P.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

Journal of Chemical Physics
2010 | Journal article
DOI: 10.1063/1.3496466
EID:

2-s2.0-77958095600
Contributors: Hantal, G.; Picaud, S.; Hoang, P.N.M.; Voloshin, V.P.; Medvedev, N.N.; Jedlovszky, P.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C<inf>6</inf>H<inf>6</inf>+OH

Molecular Simulation
2009 | Journal article
DOI: 10.1080/08927020902874016
EID:

2-s2.0-70349446522
Contributors: Hantal, G.; Picaud, S.; Collignon, B.; Hoang, P.N.M.; Rayez, M.T.; Rayez, J.C.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Molecular level properties of the water-dichloromethane liquid/liquid interface, as seen from molecular dynamics simulation and identification of truly interfacial molecules analysis

Journal of Physical Chemistry C
2009 | Journal article
DOI: 10.1021/jp906290b
EID:

2-s2.0-70449637764
Contributors: Hantal, G.; Terleczky, P.; Horvai, G.; Nyulászi, L.; Jedlovszky, P.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron

Journal of Chemical Physics
2009 | Journal article
DOI: 10.1063/1.3173276
EID:

2-s2.0-67650754976
Contributors: Turi, L.; Hantal, G.; Rossky, P.J.; Borgis, D.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid-vapor interface of water

Journal of Computational Chemistry
2008 | Journal article
DOI: 10.1002/jcc.20852
EID:

2-s2.0-41549131232
Contributors: Pártay, L.B.; Hantal, G.; Jedlovszky, P.; Vincze, Á.; Horvai, G.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Adsorption isotherm of formic acid on the surface of ice, as seen from experiments and grand canonical Monte Carlo simulation

Journal of Physical Chemistry C
2008 | Journal article
DOI: 10.1021/jp8012915
EID:

2-s2.0-53549130261
Contributors: Jedlovszky, P.; Hantal, G.; Neuróhr, K.; Picaud, S.; Hoang, P.N.M.; Von Hessberg, P.; Crowley, J.N.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study

Physical Chemistry Chemical Physics
2008 | Journal article
DOI: 10.1039/b808466a
EID:

2-s2.0-55149114656
Contributors: Hantal, G.; Jedlovszky, P.; Hoang, P.N.M.; Picaud, S.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Molecular-scale modeling of the adsorption of partially oxidized organic compounds on ice

Trends in Physical Chemistry
2008 | Journal article
WOSUID:

INSPEC:11842118
Contributors: Hantal, G.; Jedlovszky, P.; Partay, L.B.; Picaud, S.; Hoang, P.N.M.
Source: Self-asserted source
Gyorgy Hantal via ResearcherID

Calculation of the adsorption isotherm of formaldehyde on ice by grand canonical Monte Carlo simulation

Journal of Physical Chemistry C
2007 | Journal article
DOI: 10.1021/jp0742564
EID:

2-s2.0-35148870173
Contributors: Hantal, G.; Jedlovszky, P.; Hoang, P.N.M.; Picaud, S.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Counterion and surface density dependence of the adsorption layer of ionic surfactants at the vapor - Aqueous solution interface: A computer simulation study

Journal of Physical Chemistry B
2007 | Journal article
DOI: 10.1021/jp066969c
EID:

2-s2.0-33847751108
Contributors: Hantal, G.; Pártay, L.B.; Varga, I.; Jedlovszky, P.; Gilányi, T.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Molecular dynamics and Monte Carlo simulations of organic compounds adsorbed on ice surfaces

AIP Conference Proceedings
2007 | Conference paper
DOI: 10.1063/1.2827013
EID:

2-s2.0-72749117227
Contributors: Picaud, S.; Hoang, P.N.M.; Partay, L.B.; Hantal, G.; Jedlovszky, P.
Source: Self-asserted source
Gyorgy Hantal via Scopus - Elsevier

Peer review (10 reviews for 3 publications/grants)

Review activity for Journal of chemical physics. (2)
Review activity for Journal of molecular liquids. (3)
Review activity for The journal of physical chemistry. (5)
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