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The Journal of Physical Chemistry. B|December 17, 2014
NO3(-) coordination in aqueous solutions by (15)N/(14)N and (18)O/(nat)O isotopic substitution: what can we learn from molecular simulation?Ariel A Chialvo, Lukas Vlcek
The Journal of Chemical Physics|October 17, 2015
Rigorous force field optimization principles based on statistical distance minimizationLukas Vlcek, Ariel A Chialvo
The Journal of Physical Chemistry. B|November 4, 2014
Ewald summation approach to potential models of aqueous electrolytes involving gaussian charges and induced dipoles: formal and simulation resultsAriel A Chialvo, Lukas Vlcek
The Journal of Physical Chemistry. B|June 8, 2011
Optimized unlike-pair interactions for water-carbon dioxide mixtures described by the SPC/E and EPM2 modelsLukas Vlcek, Ariel A Chialvo, David R Cole
The Journal of Chemical Physics|November 4, 2017
Combining configurational energies and forces for molecular force field optimizationLukas Vlcek, Weiwei Sun, Paul R C Kent
The Journal of Physical Chemistry. A|October 8, 2013
Correspondence between cluster-ion and bulk solution thermodynamic properties: on the validity of the cluster-pair-based approximationLukas Vlcek, Ariel A Chialvo, J Michael Simonson
The Journal of Physical Chemistry. B|March 25, 2015
Vapor-liquid equilibrium and polarization behavior of the GCP water model: Gaussian charge-on-spring versus dipole self-consistent field approaches to induced polarizationAriel A Chialvo, Filip Moucka, Lukas Vlcek, et al.
Journal of Chemical Theory and Computation|September 12, 2017
Consistent Integration of Experimental and Ab Initio Data into Effective Physical ModelsLukas Vlcek, Rama K Vasudevan, Stephen Jesse, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|February 10, 2026
Molecular Simulation Studies of CO<sub>2</sub>-CH<sub>4</sub>-H<sub>2</sub>O Ternary Geological Fluids in Clay ConfinementsMotong Bian, Qi Rao, Rongguang Xu, et al.
The Journal of Physical Chemistry. B|January 24, 2008
Molecular dynamics simulation of ss-DNA translocation between copper nanoelectrodes incorporating electrode charge dynamicsChristina M Payne, Xiongce Zhao, Lukas Vlcek, et al.
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