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Livia B. Partay
Livia B. Partay
Associate Professor, University of Warwick
Verified email at warwick.ac.uk
Title
Cited by
Cited by
Year
A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid–vapor interface of water
LB Pártay, G Hantal, P Jedlovszky, Á Vincze, G Horvai
Journal of computational chemistry 29 (6), 945-956, 2008
2122008
Diffusive nested sampling
BJ Brewer, LB Pártay, G Csányi
Statistics and Computing 21, 649-656, 2011
1582011
Molecular aggregates in aqueous solutions of bile acid salts. Molecular dynamics simulation study
LB Pártay, P Jedlovszky, M Sega
The Journal of Physical Chemistry B 111 (33), 9886-9896, 2007
1402007
Efficient sampling of atomic configurational spaces
LB Pártay, AP Bartók, G Csányi
The Journal of Physical Chemistry B 114 (32), 10502-10512, 2010
1162010
Morphology of bile salt micelles as studied by computer simulation methods
LB Pártay, M Sega, P Jedlovszky
Langmuir 23 (24), 12322-12328, 2007
1022007
Machine-learned interatomic potentials for alloys and alloy phase diagrams
CW Rosenbrock, K Gubaev, AV Shapeev, LB Pártay, N Bernstein, ...
npj Computational Materials 7 (1), 24, 2021
972021
Determination of the adsorption isotherm of methanol on the surface of ice. An experimental and Grand Canonical Monte Carlo simulation study
P Jedlovszky, L Pártay, PNM Hoang, S Picaud, P von Hessberg, ...
Journal of the American Chemical Society 128 (47), 15300-15309, 2006
882006
Properties of free surface of water− methanol mixtures. Analysis of the truly interfacial molecular layer in computer simulation
LB Pártay, P Jedlovszky, Á Vincze, G Horvai
The Journal of Physical Chemistry B 112 (17), 5428-5438, 2008
812008
Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results
G Hantal, M Darvas, LB Partay, G Horvai, P Jedlovszky
Journal of Physics: Condensed Matter 22 (28), 284112, 2010
682010
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, ...
Nature Reviews Methods Primers 2 (1), 39, 2022
632022
Determining pressure-temperature phase diagrams of materials
RJN Baldock, LB Pártay, AP Bartók, MC Payne, G Csányi
Physical Review B 93 (17), 174108, 2016
632016
Molecular level structure of the liquid/liquid interface. Molecular dynamics simulation and ITIM analysis of the water-CCl 4 system
LB Pártay, G Horvai, P Jedlovszky
Physical Chemistry Chemical Physics 10 (32), 4754-4764, 2008
582008
Line of percolation in supercritical water
L Pártay, P Jedlovszky
The Journal of chemical physics 123 (2), 2005
562005
Structure of the Liquid− Vapor Interface of Water− Acetonitrile Mixtures As Seen from Molecular Dynamics Simulations and Identification of Truly Interfacial Molecules Analysis
LB Pártay, P Jedlovszky, G Horvai
The Journal of Physical Chemistry C 113 (42), 18173-18183, 2009
522009
Percolation transition in supercritical water: A Monte Carlo simulation study
LB Pártay, P Jedlovszky, I Brovchenko, A Oleinikova
The Journal of Physical Chemistry B 111 (26), 7603-7609, 2007
512007
Free-energy profile of small solute molecules at the free surfaces of water and ice, as determined by cavity insertion widom calculations
LB Pártay, P Jedlovszky, PNM Hoang, S Picaud, M Mezei
The Journal of Physical Chemistry C 111 (26), 9407-9416, 2007
512007
Counterion and surface density dependence of the adsorption layer of ionic surfactants at the vapor− aqueous solution interface: a computer simulation study
G Hantal, LB Partay, I Varga, P Jedlovszky, T Gilányi
The Journal of Physical Chemistry B 111 (7), 1769-1774, 2007
482007
Formation of mesoscopic water networks in aqueous systems
LB Pártay, P Jedlovszky, I Brovchenko, A Oleinikova
Physical Chemistry Chemical Physics 9 (11), 1341-1346, 2007
482007
Constant-pressure nested sampling with atomistic dynamics
RJN Baldock, N Bernstein, KM Salerno, LB Pártay, G Csányi
Physical Review E 96 (4), 043311, 2017
432017
Structural and thermodynamic properties of different phases of supercooled liquid water
P Jedlovszky, LB Pártay, AP Bartók, VP Voloshin, NN Medvedev, ...
The Journal of chemical physics 128 (24), 2008
432008
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