Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session G03: Electronic Structure in Open Science II
11:30 AM–2:30 PM,
Tuesday, March 7, 2023
Room: Room 126
Sponsoring
Unit:
DCP
Chair: Sina Mostafanejad, Virginia Tech
Abstract: G03.00005 : Large-scale quantum atomistic electrochemistry simulations*
1:06 PM–1:42 PM
Presenter:
Chris-Kriton Skylaris
(University of Southampton)
Author:
Chris-Kriton Skylaris
(University of Southampton)
*This work was carried out with the funding from the Faraday Institution (https://www.Faraday.ac.uk; EP/S003053/1), grant numbers FIRG003 and FIRG025. The calculations presented in this work were performed on the Iridis5 supercomputer of the University of Southampton, the Michael supercomputer of the Faraday Institution, the Young supercomputer at the UCL and the ARCHER2 UK National Supercomputing Service (https://www.archer2.ac.uk; via EPSRC grant: EP/P022030/1). We acknowledge the United Kingdom Materials and Molecular Modelling Hub for computational resources, partially funded by EPSRC (EP/P020194/1).
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