The role of hydrophobic molecules in catalytic reactions

Electrochemical processes could be used to convert CO2 into useful starting materials for industry. To optimize the processes, chemists are attempting to calculate in detail the energy costs caused by the various reaction ...

Research uncovers missing physics in explosive hotspots

Research conducted on Lawrence Livermore National Laboratory's (LLNL) supercomputer Quartz highlights findings made by scientists that reveal a missing aspect of the physics of hotspots in TATB (1,3,5-trimamino-2,4,6-trinitrobenzene) ...

Characterising complex flows in 2-D bubble swarms

When swarms of bubbles are driven upwards through a fluid by their buoyancy, they can generate complex flow patterns in their wake. Named 'pseudo-turbulence,' these patterns are characterized by a universal mathematical relationship ...

Simulations on biologically relevant time scales achieved

Molecular dynamics simulations (MD) have become a ubiquitous tool in modern life sciences. In these simulations, the interactions between atoms and molecules and their resulting spatial movements are iteratively calculated ...

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