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...
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.
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...