Walter Kohn prize 2018 winner

The 2018 Walter Kohn Prize for quantum-mechanical materials and molecular modeling has been awarded to Professor Gabriel Merino, a researcher from Centro de Investigación y de Estudios Avanzados (Cinvestav), Unidad Mérida, Mexico. The prize recognizes his pioneering work on predicting and understanding novel systems...

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QE developers’ meeting 2019

The 2019 Quantum ESPRESSO developers’ meeting will be held in SISSA, Trieste, on Jan. 7 (room 113) and Jan. 8 (room 128-129). Tentative program:

January 7th 2019

14:30-17:30: discussion on the status, actions to be taken, perspectives, of the GPU porting, also in view...

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QE developers’ meeting 2018


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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