Andrey Golov and Eugeny Alexandrov, the scientists of Samara Center for Theoretical Materials Science, were on the mission to the University Nottingham Trent (UNT, UK) on August 14 to 22, 2018. The purpose of their trip was implementation of activities under the grant project funded by the Russian Foundation for Basic Research (RFBR) and the Royal Society of London.
The joint research of SCTMS and UNT aimed at studying mechanical properties of MOFs has been developing since the beginning of 2018 and now SCTMS scientists felt the necessity of personal meeting with Dr. Matthew Addicoat for discussion and preparation of the first joint research paper.
On August 16, 2018 Eugeny Alexandrov held the workshop “The place of topological analysis in crystal chemistry and materials science” within the program of interuniversity scientific meetings “Chemistry and Forensic Science Colloquium” at UNT. He talked on topological methods of coordination frameworks' analysis that became an intergral part of coordination polymers, MOFs' and zeolites' design.
“During our stay in UNT we managed to pay much attention to development of instruments for the analysis and design of MOFs, - Eugeny Alexandrov comments. - Andrey Golov developed the program for decomposition of frameworks to building units, comparison of geometrical parameters of units and creation of corresponding database. It will enable us to determine flexible building units and design novel highly deformable frameworks by means of the program of Dr. Addicoat (AuToGraFS). We also discussed the format and the content of building units database that will be covered in our joint article”.