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Psi-k 2022 Symposium B1: Recent progress in redu ... (No replies)
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Dear all,
We would like to draw your attention to symposium B1 on “Recent progress in reduced scaling methods: from quantum chemistry and DFT to second-principles”, to be held at the Psi-k 2022 conference in Lausanne, August 22-25, 2022 (https://www.psik2022.net/program/symposia)
Abstract submissions are welcomed for both oral and poster presentations, on all aspects relating to reduced scaling methods. Oral abstract deadline: 31st May.
Symposium Description:
We shall survey different methodological frameworks to go beyond the usual time/length scales of standard DFT. This includes reduced scaling methods from Quantum Chemistry (using fragment molecular orbitals or novel sparse numerical representations) to Order-N density functional methods or some recent progress on the so-called second-principles methods: new strategies that capture the main interatomic and electronic interactions of materials in a mathematically simple form, but rely on parameters automatically computed from first principles.
Best wishes,
The B1 Symposium Organizers
Laura Ratcliff, Javier Junquera, David Bowler