QE developers’ meeting 2018

Agenda

February 1st 2018

9:30 – 9:55 — Paolo Giannozzi: Introduction. slides

10:00 – 10:25 — Andrea Dal Corso: Thermo_pw, a fortran driver for Quantum ESPRESSO routines – progress report. slides

10:30 – 10:55 — Samuel Poncé: Updates...

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Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material – Journal of the American Chemical Society

Rui-Biao Lin,† Libo Li,†,§ Hui Wu,‡ Hadi Arman,† Bin Li,† Rong-Guang Lin,†,∥ Wei Zhou,*,‡ and Banglin Chen*,†

Selective separation of acetylene (C2H2) from carbon dioxide (CO2) or ethylene (C2H4) needs specific porous materials whose pores can realize sieving effects while pore surfaces can differentiate their...

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QE developers meeting 2017

Agenda

Monday January 9th

09:00 – 09:30 Opening talk Paolo Giannozzi (U.Udine) — SLIDES

09:30 – 10:30 New XML I/O in QE Pietro Delugas (SISSA) — SLIDES

10:00 – 10:30 New FFT data distribution to improve scalability Stefano de Gironcoli...

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