Eight years and 6000+ citations after the first Quantum ESPRESSO Manifesto was published, a new version is available (here in open access) thanks to the concerted effort of a team of 50 authors, coordinated by Paolo Giannozzi...
Version 6.2 of Quantum ESPRESSO is available for download. You can find all archives uploaded on QE-FORGE here.
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...
Schrödinger Inc. and the Quantum ESPRESSO Foundation (QEF) are pleased to announce the integration of the Quantum ESPRESSO software into Schrödinger’s Materials Science Suite to enable expanded use...
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...
Version 6.0 of Quantum ESPRESSO is available for download. You can find all archives uploaded on QE-FORGE here.
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...
Version 5.4.0 of Quantum ESPRESSO is available for download. You can find all archives uploaded on QE-FORGE here.
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...
Version 5.3.0 of Quantum ESPRESSO is available for download.