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Extreme chemistry: simulating the fate of molecules at extreme pressures and temperatures

date
19.06.2018 
time
05:00 PM - 06:00 PM 
speaker
Prof. Dr. Sandro Scandolo 
affiliation
The Abdus Salam International Centre for Theoretical Physics, Trieste 
language
en 
main topic
Materials: general
host
Prof. Dr. Felser, Prof. Grin, Prof. Dr. Ruck, Prof. Dr. Kaskel, Prof. Dr. Weigand 
abstract

Extreme conditions of pressure and temperature such as the ones found in the interiors of planets induce dramatic chemical changes in simple molecules, including dissociation, ionization, and polymerization. Understanding such changes has far-reaching implications in chemistry, physics, planetary sciences, geophysics, and materials science. I will illustrate strengths and limitations of density-functional-theory based molecular dynamics in three case studies: the polymerization of carbon dioxide, the collapse of magnetism in oxygen, and the dissociation of a water/methane planetary mixture.

 

Last update: 20.06.2018 00:08.

venue 

Max-Planck-Institut für Chemische Physik fester Stoffe (Seminarraum 1+2, Nöthnitzer Straße 40, 01187 Dresden) 
Nöthnitzer Straße 40
01187 Dresden
e-mail
Max-Planck-Institut für Chemische Physik fester Stoffe 
homepage
http://www.cpfs.mpg.de/ 

organizer 

Max-Planck-Institut für Chemische Physik fester Stoffe (MPI-CPfS)
Nöthnitzer Straße 40
01187 Dresden
e-mail
Max-Planck-Institut für Chemische Physik fester Stoffe (MPI-CPfS) 
homepage
http://www.cpfs.mpg.de/ 
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