In this work, we used the ReaxFF force field to investigate the dynamics of different network
structures of trimesic acid (TMA) molecules on graphene as a function of temperature. We …

In this study we present a thermodynamic analysis of several self-assembled molecular
layers of trimesic acid (TMA), gas–solid and solid–solid transitions in such layers using the …

A simple lattice model of the orientational ordering in organic adsorption layers that
considers the directionality of intermolecular interactions is proposed. The symmetry and the …

A general methodology for determining the thermodynamic characteristics of orientationally
ordered rigid crystals is presented. The basic problem here is associated with a very small …

The ability of catecholamines to undergo oxidative self-polymerization provides an attractive
route for preparation of coatings for biotechnology and biomedicine applications. However …

High accuracy and performance of the tensor renormalization group (TRG) method have
been demonstrated for the model of hard disks on a triangular lattice. We considered a …

A simple lattice model of metal–organic adsorption layers self-assembling on a Au (111)
surface and based on pyridyl-substituted porphyrins differing in the number of functional …

The representation of complex lattice models in the form of a tensor network is a promising
approach to the analysis of the thermodynamics of such systems. Once the tensor network is …

We present to the scientific community the Surface Science Modeling and Simulation Toolkit
(SuSMoST), which includes a number of utilities and implementations of statistical physics …

A general methodology for determining the thermodynamic characteristics of rigid organic
crystals on the atomistic level is presented. The proposed approach is based on a …