FOR OUTSTANDING CONTRIBUTIONS IN THE FIELD OF QUANTUM-MECHANICAL MATERIALS AND MOLECULAR MODELING
The Walter Kohn prize for quantum-mechanical materials and molecular modeling, jointly instituted and co-funded by ICTP and the Quantum ESPRESSO Foudation is...
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...
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...