Evolutionary structure prediction using the USPEX code

August 3-8, 2013
Guilin University of Electronic Technology
Guilin, China

REGISTRATION: Registration is closed now.

Organizers
Supporting organizations
The Venue

The workshop was held at Guilin University of Electronic Technology. Guilin is famous for incredibly beautiful landscapes (considered the best in China), gentle and delightful climate, rich traditional culture of numerous ethnic minorities, and delicious cuisine.

Participants were located in the BAIYUE Hotel.

The Program

Participants will be given opportunity to present their own research with USPEX. Best works will be awarded with prizes. During the workshop, participants will have an opportunity to start their own projects with the help of the USPEX team.

August 3, 2013
Arrival and registration
August 4, 2013
  • Welcome: Prof. Lixian Sun (Director of School of Materials Science and Engineering, GUET)
  • X. Chen "Computational nanoscience and materials of the future"
  • A.R.Oganov "Crystal structure prediction and the USPEX code" (Slides)
  • Q. Zhu "Prediction of the structure of molecular crystals" (Slides)
  • G. Frapper "From molecules to solids: chemical bonding and crystal structure prediction" (Slides)

Tutorials:

  • Prediction of high-pressure phases (A.R. Oganov)
  • Molecular crystals (Q. Zhu)
August 5, 2013
  • T. Cui "novel materials at high-pressure" (Slides)
  • Q. Zhu "Variable-composition evolutionary structure prediction" (Slides)
  • A.R. Oganov "Optimization of physical properties (Slides)"
  • Q.F. Zeng "Computational discovery of novel dielectric materials" (Slides)

Tutorials:

  • Variable-composition structure predictions (G.R. Qian)
  • Optimization of physical properties (A.R. Oganov)
August 6, 2013
EXCURSION: Li river cruise from Guilin to Yangshuo county; Rafting along the Yulong river; Dinner at Gurong restaurant (Yangshuo county)
August 7, 2013
  • A.F. Goncharov "Novel chemistry under pressure" (Slides)
  • Q. Zhu "Predicting low dimensional systems" (Slides)
  • C.H. Hu "Applications of the variable-composition structure prediction" (Slides)
  • W.W.Zhang "New chemistry of simple compounds: Na-Cl system" (Coming soon)
  • Y.L. Li "Novel chemistry of carbides at high pressure found by USPEX" (Slides)

Tutorials:

  • Q. Zhu. "Nanoparticles"
  • Expert user talks.
  • 19:00 Chunji Roast Goose
August 8, 2013
  • A.R. Oganov "Evolutionary metadynamics" (Slides)
  • V. Blatov "Topological approaches in crystal structure prediction" (Slides)
  • G.R. Qian "Methods for predicting phase transition mechanisms: VCNEB and TPS Method" (Slides)