ELectronic Structure Infrastructure (ELSI) Connector Meeting 2017

The ELSI project focuses on providing and enhancing scalable, open-source software library solutions which solve or circumvent the Kohn-Sham eigenvalue problem in density-functional theory. Past iterations of the ELSI Connector Meeting provided a forum where developers for various electronic structure codes, Kohn-Sham solvers, and open-source projects could interact and discuss future improvements. Importantly, these workshops are not exclusive to members of the ELSI community, but always seek to include key speakers from related projects.

The meeting was open to the public and streamed online. Recordings of the talks are uploaded to the ELSI YouTube channel (playlist here), which may alternatively be reached for individual talks using the links below. (Unfortunately, due to technical difficulties we were unable to record Victor Yu’s presentation.)

Date: Wednesday, August 16th, 2017

Location: Walter M. Mumma Faculty Commons (FCIEMAS 3121), Duke University, Durham, NC, USA (directions)

Organizers (in alphabetical order): Volker Blum, Lin Lin, Jianfeng Lu

Schedule (in Durham time)

Time Speaker Event
8:00 – 9:00 Arrival and Breakfast at Mumma Commons
9:00 – 9:30 Victor Yu ELSI Interface: Status and Plans (slides)
9:30 – 10:00 Micael Oliveira The Electronic Structure Library: An Overview (slides, video)
10:00 – 10:30 Stefano de Gironcoli News from the Electronic Structure Library Coding Workshop in Trieste (slides, video)
10:30 – 11:00 Coffee Break
11:00 – 11:30 Stephan Mohr Efficient Computation of Sparse Matrix Functions for Large Scale Electronic Structure Calculations: The CheSS library (slides, video)
11:30 – 12:00 Mathias Jacquelin A New Parallel Solver for Sparse Symmetric Matrices and a Storage Optimal Selected Inversion (slides, video)
12:00 – 1:30 Lunch, Catered by Twinnie’s
1:30 – 2:00 William Huhn Proposal for a Performance and Scaling Benchmark Set for Electronic Structure Calculations (slides, video)
2:00 – 2:30 Haizhao Yang libOMM: Recent Development and Future Directions (slides, video)
2:30 – 3:00 Weile Jia Robust Determination of the Chemical Potential in Fermi Operator Expansion Methods for Solving Kohn-Sham Density Functional Theory (slides, video)
3:00 – 3:30 Coffee Break
3:30 – 5:30 Planning/Strategy Meeting for ELSI in Upcoming Year
6:00 – Dinner in Durham at Blue Note Grill (website)