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...

Read More

QE developers meeting 2017


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...

Read More

Performance of arsenene and antimonene double-gate MOSFETs from first principles – nature communications

Giovanni Pizzi1,*, Marco Gibertini1,*, Elias Dib2,*, Nicola Marzari1, Giuseppe Iannaccone2 & Gianluca Fiori2

In the race towards high-performance ultra-scaled devices, two-dimensional materials offer an alternative paradigm thanks to their atomic thickness suppressing short-channel effects. It is thus urgent to study the most promising candidates in...

Read More

Linear response workshop 2016

18 – 21 January 2016 – Trieste, Italy


The Quantum ESPRESSO (QE) project has started in 2002 by collecting together PWscf, CP, PHonon, and other smaller codes, and has been very rapidly evolving in many directions and inevitably increasing its complexity. In...

Read More