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Regular version of the site

International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis

Publications
Article
Competitive Adsorption of H2O and CO2 in 2-Dimensional Nano-Confinement: GCMD Simulations of Cs- and Ca-Hectorite

Loganathan N., Bowers G. M., Yazaydin A. O. et al.

The Journal of Physical Chemistry C. 2018. Vol. 122. No. 41. P. 23460-23469.

Book chapter
Equations for velocity oscillations in problems of a fluid flow along a plate with small periodic irregularities on the surface for large Reynolds numbers In print

Gaydukov R., Danilov V.

In bk.: Proceedings of the International Conference DAYS on DIFFRACTION 2018. 2018.

Illustration for news: Lecture by professor Nikolay Priezjev on wetting properties of structured surfaces explored by MD simulations

Lecture by professor Nikolay Priezjev on wetting properties of structured surfaces explored by MD simulations

On Friday, June 8, seminar "Supercomputer and Multiscale Modelling of Condensed Phase and Biological Systems" was held. Professor Nikolay Piezjev gave a talk on investigation of wetting properties of of structured interfaces in 2 parts.

Illustration for news: Lecture on Atomistic Mechanism of the Constitutive Activation of PDGFRA Via Its Transmembrane Domain

Lecture on Atomistic Mechanism of the Constitutive Activation of PDGFRA Via Its Transmembrane Domain

On Tuesday, May 15, seminar "Supercomputer and Multiscale Modelling of Condensed Phase and Biological Systems" was held. A. Polyansky from IBCh RAS gave a talk "Atomistic mechanism of the constitutive activation of PDGFRA via its transmembrane domain". The result of this study was the molecular model of PDGFRa receptor activation, and the role of its oncogenic mutant form have been revealed. On the second part of the seminar students of SAMMA Laboratory reported on their projects.

Database clarifies bottom-up design of cement

An international team of scientists led by EPFL Lausanne, ETH Zurich and Rice University has created a database of molecular dynamics models that simulate the properties of cement in all its varieties.