Zeolites are traditionally used in high-temperature applications at low water vapor pressures, such as heterogeneous catalysis and gas separation, where the zeolite framework is generally considered to be stable and static. Increasingly, zeolites are being considered for applications under milder aqueous conditions, in emerging fields such as biomass conversion, low-temperature oxidation...
PALM is an open-source large-eddy simulation model with strong focus on parallelization and HPC computing. The members of the atmospheric modelling group at the Institute of Computer Science (ICS) of the Czech Academy of Sciences successfully extended this model with the Urban Surface Module (USM) and Radiative Transfer Module (RTM), which simulate processes necessary for microscale urban...
The symmetry of the molecular structure of the benzene radical anion ($C_6H_6^{\bullet -}$) leads to a rich and intriguing palette of quantum behavior manifestations. Moreover, this simplest aromatic anion possesses a great importance in organic chemistry. In particular, one of the most well-known appearances in this field is as the first reactive intermediate in the Birch reduction used to...
These days, the effective development of new materials is a priority of research and industry in modern society. However, the basic description of material structure is insufficient to achieve detailed understanding of behaviour of many advanced materials. Here the studies of structure defects become more and more important. At this level of research, the theoretical modelling, such as ab...
