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CECAM Workshop: Accelerating Improvements in Den ... (No replies)

attila.cangi
1 year ago
attila.cangi 1 year ago

Abstract submission deadline on April 30, 2023!

 

We invite you to participate in the upcoming CECAM flagship workshop, "Accelerating Improvements in Density Functional Theory". This onsite workshop will take place August 21-25, 2023 at the CECAM headquarters in Lausanne, Switzerland.

The workshop will focus on theoretical aspects of density functional theory (DFT) and related methods.

The workshop will cover recent advancements in approximating the exchange-correlation (XC) energy for ground-state DFT and the XC kernel for time-dependent DFT, including meta-generalized-gradient approximations, hybrid, and range-separated hybrid functionals, as well as methods for non-collinear magnetism and dispersion interactions. The workshop will also cover the use of known constraints in constructing XC approximations and the use of quantities beyond the density in approximating the XC energy. In addition, we plan to discuss methods on how to circumvent the computational bottleneck of solving the Kohn-Sham equations, such as orbital-free DFT, linear-scaling algorithms, and stochastic methods. The workshop will also cover the fusion of machine-learning techniques with DFT and applications of DFT in warm dense matter.

The list of invited speakers includes experts in the field such as Roi Baer, Kieron Burke, Attila Cangi, Hardy Gross, Eli Kraisler, Leeor Kronik, Stephan Kuemmel, Neepa Maitra, Michele Pavanello, John Perdew, Aurora Pribram-Jones, Lucia Reining, Tamar Stein, Weitao Yang, and more to be confirmed.

We invite you to submit an abstract by April 30, 2023, on the workshop website.

We hope to see you in August!

 

Link to the workshop website: https://www.cecam.org/workshop-details/1197.




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