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SUMMARY:Frontiers of Multi-scale Modeling in Materials\, Energy & Catalysi
 s XII
DTSTART:20260622T070000Z
DTEND:20260626T130000Z
DTSTAMP:20260414T185800Z
UID:indico-event-16@events.ms1p.org
DESCRIPTION:Modern computational science has established itself as a key c
 ontributor to the understanding and interpretation of complex processes in
  physics\, chemistry\, and materials science. The key challenge in the qu
 est for quantitative understanding lies in a coherent treatment of molecul
 ar-level mechanisms underlying macroscopic phenomena in chemical processin
 g. These efforts are supported by the fundamental energy science perspecti
 ve\, which will ultimately enable the rational design of novel catalysts\,
  efficient energy sources\, and improved production strategies. \nEfforts
  combined across multiple disciplines are the key to comprehensively linki
 ng the insights that modeling and simulations can provide across all relev
 ant length and time scales: at the molecular level\, first-principles elec
 tronic-structure calculations unravel the making and breaking of chemical 
 bonds. At the mesoscopic scale\, statistical simulations account for the i
 nterplay between all elementary steps involved in catalytic and energy pro
 cesses. Finally\, at the macroscopic scale\, continuum theories yield the 
 effect of heat and mass transfer\, ultimately scaling up to a plant or dev
 ice-wide simulation. Multi-scale modeling thus finds its strength in a div
 ersity of scientific backgrounds that range from physics and theoretical c
 hemistry to chemical engineering. This diversity\, however\, also renders 
 the promotion of internal communication and scientific exchange all the mo
 re essential. \n\nhttps://events.ms1p.org/event/16/
LOCATION:Hotel Port Machovo Jezero
URL:https://events.ms1p.org/event/16/
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