SUrface Science MOdeling and Simulation Toolkit (SuSMoST) is a set of computer programs and libraries that are intended to support studies of surfaces with emphasize on adsorption systems and phase transitions. Currently SuSMoST is being actively developed by staff of Computational Chemistry Laboratory of
Omsk State Technical University
(OmSTU). SuSMoST development is supported by
Russian Science Foundation
(project No 17-71-20053 for 2017-2020 years).
SuSMoST emerged from the decade of computational studies of physico-chemical processes on surfaces conducted by the scientific group lead by Alexander V. Myshlyavtsev in OmSTU.
Mentions in the media:
Recent studies conducted with SuSMoST:
SuSMoST: Surface Science Modeling and Simulation Toolkit, S. S. Akimenko, G. D. Anisimova, A. I. Fadeeva, V. F. Fefelov, V. A. Gorbunov, T. R. Kayumova, A. V. Myshlyavtsev, M. D. Myshlyavtseva, P. V. Stishenko, ChemRxiv, 2019. DOI: 10.26434/chemrxiv.8068307.v1.
Complete analysis of phase diversity of the simplest adsorption model of a binary gas mixture for all sets of undirected interactions between nearest neighbors, V. F. Fefelov, A. V. Myshlyavtsev, and M. D. Myshlyavtseva, Adsorption, pp 1–10, 2019. DOI: 10.1007/s10450-019-00043-3.
Qualitative DFT study of lateral interactions between nitrogen molecules adsorbed on a V, T. R. Kayumova and P. V. Stishenko, 3C 2 MXene sheet AIP Conference Proceedings 2007, 020014, 2018. DOI: 10.1063/1.5051853.
Modeling of self-assembling monolayer of terephthalic acid and iron on the copper surface: Intermolecular interactions and the ground state, A. I. Fadeeva, V. A. Gorbunov, and P. V. Stishenko, AIP Conference Proceedings 2007, 020009, 2018. DOI: 10.1063/1.5051848.
Phase diversity in an adsorption model of an additive binary gas mixture for all sets of lateral interactions, V. F. Fefelov, A. V. Myshlyavtsev, and M. D. Myshlyavtseva, Physical Chemistry Chemical Physics 20, 10359, 2018. DOI: 10.1039/C7CP08426A.
Remnants of the devil's staircase of phase transitions in the model of dimer adsorption at nonzero temperature, S. S. Akimenko, V. F. Fefelov, A. V. Myshlyavtsev, and P. V. Stishenko, Physical Review B 97, 085408, 2018. DOI: 10.1103/PhysRevB.97.085408.
Cross-impact of surface and interaction anisotropy in the self-assembly of organic adsorption monolayers: a Monte Carlo and transfer-matrix study, V.A. Gorbunov, S. S. Akimenko, and A. V. Myshlyavtsev, Physical Chemistry Chemical Physics 19, 17111, 2017. DOI: 10.1039/C7CP01863K.
Adsorption of ethylene on Cu(410): A transfer-matrix and Monte Carlo study, S.I. Evseeva, V.A. Gorbunov, A.V. Myshlyavtsev, and M.D.Myshlyavtseva, Surface Science 664, 201-206, 2017. DOI: 10.1016/j.susc.2017.06.016.
Generalized lattice-gas model for adsorption of functional organic molecules in terms of pair directional interactions, S.S. Akimenko, V.A. Gorbunov, A.V. Myshlyavtsev, and P.V. Stishenko, Physical Review E 93, 062804, 2016. DOI: 10.1103/PhysRevE.93.062804.
Monte Carlo study of adsorption of additive gas mixture, V.F. Fefelov, P.V. Stishenko, V.M. Kutanov, A.V. Myshlyavtsev, and M.D. Myshlyavtseva, Adsorption 22, 673-680, 2016. DOI: 10.1007/s10450-015-9753-x.
Potential of lateral interactions of CO on Pt (111) fitted to recent STM images, A.V. Myshlyavtsev, and P.V. Stishenko, Surface Science 642, 51-57, 2015. DOI: 10.1016/j.susc.2015.08.018.