Reverse Monte Carlo simulation: a new technique for the determination of disordered structures RL McGreevy, L Pusztai Molecular simulation 1 (6), 359-367, 1988 | 2063 | 1988 |
A new version of the RMC++ Reverse Monte Carlo programme, aimed at investigating the structure of covalent glasses O Gereben, P Jóvári, L Temleitner, L Pusztai Journal of Optoelectronics and Advanced Materials 9 (10), 3021, 2007 | 352 | 2007 |
The structure of molten salts RL McGreevy, L Pusztai Proceedings of the Royal Society of London. Series A: Mathematical and …, 1990 | 172 | 1990 |
Reverse Monte Carlo modelling of the structure of disordered materials with RMC++: a new implementation of the algorithm in C++ G Evrard, L Pusztai Journal of Physics: Condensed Matter 17 (5), S1, 2005 | 164 | 2005 |
RMC_POT: a computer code for reverse Monte Carlo modeling the structure of disordered systems containing molecules of arbitrary complexity O Gereben, L Pusztai Journal of computational chemistry 33 (29), 2285-2291, 2012 | 124 | 2012 |
Hydrogen bonding and molecular aggregates in liquid methanol, ethanol, and 1-propanol A Vrhovsek, O Gereben, A Jamnik, L Pusztai The Journal of Physical Chemistry B 115 (46), 13473-13488, 2011 | 124 | 2011 |
Structure of evaporated pure amorphous silicon: Neutron-diffraction and reverse Monte Carlo investigations S Kugler, L Pusztai, L Rosta, P Chieux, R Bellissent Physical Review B 48 (10), 7685, 1993 | 115 | 1993 |
On the accurate calculation of the dielectric constant from molecular dynamics simulations: The case of SPC/E and SWM4-DP water O Gereben, L Pusztai Chemical Physics Letters 507 (1-3), 80-83, 2011 | 113 | 2011 |
Structure of amorphous semiconductors: Reverse Monte Carlo studies on a-C, a-Si, and a-Ge O Gereben, L Pusztai Physical Review B 50 (19), 14136, 1994 | 113 | 1994 |
Lead silicate glasses: Binary network-former glasses with large amounts of free volume S Kohara, H Ohno, M Takata, T Usuki, H Morita, K Suzuya, J Akola, ... Physical Review B—Condensed Matter and Materials Physics 82 (13), 134209, 2010 | 95 | 2010 |
Investigation of the structure of ethanol–water mixtures by molecular dynamics simulation I: analyses concerning the hydrogen-bonded pairs O Gereben, L Pusztai The Journal of Physical Chemistry B 119 (7), 3070-3084, 2015 | 82 | 2015 |
MCGR: An inverse method for deriving the pair correlation function from the structure factor L Pusztai, RL McGreevy Physica B: Condensed Matter 234, 357-358, 1997 | 80 | 1997 |
Determination of three body correlations in simple liquids by RMC modelling of diffraction data. II. Elemental liquids MA Howe, RL McGreevy, L Pusztai, I Borzsák Physics and Chemistry of Liquids 25 (4), 205-241, 1993 | 72 | 1993 |
Partial pair correlation functions of liquid water L Pusztai Physical Review B 60 (17), 11851, 1999 | 66 | 1999 |
Understanding the structure of aqueous cesium chloride solutions by combining diffraction experiments, molecular dynamics simulations, and reverse monte carlo modeling V Mile, L Pusztai, H Dominguez, O Pizio The Journal of Physical Chemistry B 113 (31), 10760-10769, 2009 | 63 | 2009 |
On the structure of aqueous LiCl solutions I Harsányi, L Pusztai The Journal of chemical physics 122 (12), 2005 | 61 | 2005 |
The structure of liquid tetrachlorides CCl4, SiCl4, GeCl4, TiCl4, VCl4, and SnCl4 P Jóvári, G Mészáros, L Pusztai, E Sváb The Journal of Chemical Physics 114 (18), 8082-8090, 2001 | 59 | 2001 |
Hydration structure in concentrated aqueous lithium chloride solutions: a reverse Monte Carlo based combination of molecular dynamics simulations and diffraction data I Harsányi, L Pusztai The Journal of chemical physics 137 (20), 2012 | 55 | 2012 |
On the uniqueness of the Reverse Monte Carlo simulation. I. Simple liquids, partial radial distribution functions L Pusztai, G Tóth The Journal of chemical physics 94 (4), 3042-3049, 1991 | 53 | 1991 |
The Roles of the Ge‐Te Core Network and the Sb‐Te Pseudo Network During Rapid Nucleation‐Dominated Crystallization of Amorphous Ge2Sb2Te5 K Ohara, L Temleitner, K Sugimoto, S Kohara, T Matsunaga, L Pusztai, ... Advanced Functional Materials 22 (11), 2251-2257, 2012 | 51 | 2012 |