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APS March Meeting 2024 -- Focus Session "De ... (No replies)

Adrienn Ruzsinszky
10 months ago
Adrienn Ruzsinszky 10 months ago

We would like to draw your attention to the Focus Topic " Density Functional Theory in Chemical Physics", organized by Adrienn Ruzsinszky (Tulane), and Jianwei Sun (Tulane). It is listed in DCP as 05.1.3:

Sorting Categories | March Meeting 2024 (aps.org)

Density functional theory (DFT) is an indispensable tool in computational materials science and chemistry. Although many methods within DFT have been routinely used, DFT is still continuously being improved. Along with many other examples, semilocal meta-generalized gradient approximations harbor various opportunities for potential applications, and the DFT community can further benefit from a universally applicable robust self-interaction correction.

The upcoming focus topic is dedicated to recent advances and challenges in DFT from the ground to excited states: successes, challenges, scalable implementations in electronic structure codes, and applications to functional materials, interfaces, molecules, and nano-structures. We aim to attract researchers engaged in the development and computational simulations of electronic structure of materials with DFT.

This is also a continuation of the focus topics in previous years. Last year the focus topic on density functional theory had great attendance with stimulating discussions, and we would like to reach this again in 2024. Please consider submitting your contributed abstract to our focus topic if you are developing or testing modern density functionals and exchange-correlation kernels, or otherwise advancing ground-state, excited-state, and time-dependent density functional theory. The abstract deadline is October 20, 2023.

We’re looking forward to seeing many of you in Minneapolis!

With best regards,

Adrienn Ruzsinszky and Jianwei Sun




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Ab initio (from electronic structure) calculation of complex processes in materials