CCL:G: Structure prediction with USPEX code (Shanghai, 16-20 June 2017)

 Sent to CCL by: "Artem R. Oganov" [artem.oganov%a%sunysb.edu]
 Announcements of conferences, workshops, schools..
 USPEX workshop (Shanghai, 16-20 June 2017) (No replies)
 artem
 2 days ago
 Dear colleagues,
 We would like to invite you to participate in the 13th USPEX workshop, which
 will take place in
 Shanghai (China) on 16-20 June 2017. Please see details at:
 http://hpstar.ac.cn/contents/203/6166.html
 We suggest that you register at your earliest convenience, by sending an e-mail
 with your CV to
 us at: uspex.register(a)hpstar.ac.cn.
 This workshop will be particularly exciting because it will be coupled with the
 TOPOS workshop
 (TOPOS is a world-leading program, written by V.A. Blatov, for analyzing crystal
 structures and
 their topology). This will allow the attendees to master two unique and
 world-leading codes -
 USPEX for predicting crystal structures, and TOPOS to analyze and understand
 them in depth.
 The total program is in 4 days - two days for TOPOS and two for USPEX. Both
 parts of the
 workshop will include top-level lectures by developers and experienced users of
 USPEX and
 TOPOS, and practical sessions with both codes.
 We look forward to seeing you in Shanghai.
 Artem R. Oganov, on behalf of the organizers
 **********************
 About the USPEX code (http://uspex-team.org):
 USPEX is the leading code for the prediction of structures of crystals,
 two-dimensional materials,
 surfaces, grain boundaries, polymers, molecules and nanoparticles. It
 incorporates several
 methods:
 -evolutionary algorithm USPEX for structure prediction
 -evolutionary metadynamics algorithm for crystal structure and transformation
 path predictions
 -variable-cell nudged elastic band (VCNEB) and transition path sampling (TPS)
 methods for
 predicting mechanisms of phase transitions
 -additional methods, such as adaptations of particle-swarm optimization and
 minima hopping
 methods.
 USPEX code is currently used by >3600 scientists around the world. It allows
 prediction of stable
 structures and compositions of materials that are stable at given external
 conditions (pressure,
 chemical potentials) or possess target physical properties. It can build
 structures from atoms or
 prespecified molecules, use information about unit cell parameters and space
 group symmetry.
 Full support of space groups, plane groups and point groups of symmetry is
 available. Among
 properties that it can optimize are density, elastic and dielectric properties,
 band gap, density of
 states at the Fermi level, fracture toughness, hardness, magnetization,
 thermoelectric figure of
 merit ZT, refractive index, birefringence, etc. (most of these functionalities
 are available in the
 current release, 9.4.4, while some will be made available in the version 10.1).
 USPEX can be
 used in local or remote modes, with sequential or massively parallel execution.
 It is interfaced
 with VASP, SIESTA, GULP, CASTEP, Quantum Espresso, ATK, LAMMPS, Gaussian,
 FHIaims,
 DMACRYS, CP2k, Tinker, MOPAC.