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SUMMARY:Thermal Conductivity of Complex Materials from Atomistic Simulatio
 ns - Prof. Davide Donadio\, UC Davis\, USA
DTSTART:20251201T140000Z
DTEND:20251201T143000Z
UID:TALK239761@talks.cam.ac.uk
CONTACT:Dr Fabian Berger
DESCRIPTION:Thermal management is critical for a wide range of technologic
 al applications\, from microelectronics to renewable energy harvesting and
  storage. In the design of complex materials for such applications\, it is
  essential to predict their thermal conductivity alongside other functiona
 l properties.\nIn this talk\, I will illustrate complementary approaches t
 o calculating the thermal conductivity of materials from atomistic simulat
 ions\, combining lattice dynamics and molecular dynamics. I will demonstra
 te that the emergence of machine learning models trained on first-principl
 es calculations and the development of a unified theory of heat transport 
 for crystals and glasses allow one to perform\, on one side\, high-through
 put explorations of the thermal conductivity across a broad chemical space
 \, and\, on the other side\, very accurate and predictive calculations of 
 heat transport for complex systems\, such nanostructures\, glasses\, and n
 anostructured alloys.  
LOCATION:https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT0
 9
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