Minnesota Workshop on ab Initio Modeling in Solid State Chemistry with CRYSTAL

Location & Details

Jul. 9, 2017
University of Minnesota
About This Event: 

Ab initio modeling has become of ever-increasing interest in solid state chemistry, physics, and materials science. Software for the quantum-mechanical study of a large variety of solid properties (structural, electronic, spectroscopic, thermodynamic, optical, elastic, piezoelectric, etc.) is now widely available to a rapidly growing community of specialists (theoretical and computational chemists and physicists), as well as non-specialists (materials scientists, crystallographers, geologists, solid state physicists and chemists, etc.).

The Minneapolis edition of the MSSC2017 School will provide the necessary formal background to understand the main theoretical methodologies and approximations underpinning modern ab initio solid state computational tools and it will also provide practical guidelines for the actual use of standard and advanced features of CRYSTAL.

The School will present the newest version of the program (CRYSTAL17, to be released in 2017) with all of its new features and capabilities.

The workshop will be held Sunday, July 9 through Friday, July 14.

Registration is open and runs through May 2, 2017. Participation is limited to 40 attendees.

This workshop is being organized by the Minnesota Chemical Theory Center, the Theoretical Chemistry Group of the University of Torino, the Inorganometallic Catalyst Design Center, and the Minnesota Supercomputing Institute.