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SUMMARY:CMSP Seminar (Atomistic Simulation Seminar Series): CALYPSO struct
 ure prediction method and its application under high pressure
DTSTART;VALUE=DATE-TIME:20260722T090000Z
DTEND;VALUE=DATE-TIME:20260722T100000Z
DTSTAMP;VALUE=DATE-TIME:20260803T235809Z
UID:indico-event-11402@ictp.it
DESCRIPTION:\n	Pengyue Gao \n	(ICTP)\n	 \n \n\n	Abstract\n	The crystal s
 tructure of condensed matter serves as the foundation for a profound under
 standing of its macroscopic physical properties. The ability to theoretica
 lly and independently predict crystal structures not only facilitates the 
 collaborative resolution of structural puzzles alongside experimental effo
 rts but also enables the prediction of physical properties prior to experi
 mentation. This\, in turn\, guides the experimental synthesis of new mater
 ials\, realizing a new paradigm of theory-oriented materials research and 
 development. Prof. Yanming Ma's group at Jilin University proposed an acad
 emic approach based on heuristic numerical solutions with physical constra
 ints to identify the lowest energy states on potential energy surfaces. Fo
 llowing this idea\, they developed the crystal structure prediction method
  and software known as CALYPSO (available at http://www.calypso.cn)\, whic
 h enables the prediction of crystal structures based solely on chemical co
 mposition. To date\, CALYPSO has been u across more than 1\,000 institutio
 ns in 79 countries and regions\, with over 5\,300 users—including teams 
 led by Nobel laureates—signing licensing agreements for its use. Utilizi
 ng the CALYPSO software\, peers in the scientific community have published
  more than 2\,200 papers in  journals such as Nature Chemistry\, PRL\, PN
 AS\, and JACS.\n\n	Zoom registration link:https://zoom.us/meeting/register
 /Z0oVNcYmT4-7_EBwcP62PA\n	 \n\n\n//indico.ictp.it/event/11402/
LOCATION:Euler Lecture Hall (Leonardo Building) and via Zoom
URL://indico.ictp.it/event/11402/
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