NSC is pleased to host an Electronic structure workshop for SNIC users on March 29th 2017.
A best practices workshop in the area of electronic structure calculations (materials science and quantum chemistry), hosted at NSC, Linköping University, with presentations by application experts from different SNIC centers. The presented software include for instance VASP, Quantum Espresso, RSPt, AiiDA, Gaussian and Jaguar.
The purpose of this workshop is to highlight best practice use regarding electronic structure calculations, as well as bringing together users and application experts. Users are very welcome to put forward their questions and concerns regarding calculations and to discuss directly with application experts. For example, we would very much like to learn how you run your jobs and what programs, simulations and data analysis your research requires, so we can help you better and potentially make the compute systems even easier to use for your research purposes.
The format is presentations given by application experts on different software, with time for questions and free discussion in the schedule.
OBS: While registration is not mandatory, it helps us to book room and order coffee.
A preliminary workshop program, for Wednesday March 29th 2017:
11:10-11:25 Quantum Espresso
11:25-12:00 D I S C U S S I O N
the first section for free discussion
12:00-13:00 L U N C H
- OBS: not included -
14:00-14:30 Born-Oppenheimer MD using Amber 14
14:30-15:00 C O F F E E
16:00-17:00 D I S C U S S I O N
the final section for free discussion
Room G32, in house Galaxen. Enter house Galaxen via Entrance 81, go 2 stairs up. There will be signs guiding you to room G32. OBS: NSC is located elsewhere in the building (Entrance 83).
Further information on how to get to Linköping and Campus Valla. In particular, note that local buses don't accept cash or credit cards.
Phone: +46 (0)73 461 8948 (Weine Olovsson)