Conference Time: 10th May 2024, 10:39:53pm CEST
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S26.07: Various Topics
Time:
Thursday, 21/Mar/2024:
2:00pm - 4:00pm
Session Chair: Muhammad Hassan Session Chair: Reinhold Schneider
Location: G22/209 Conference Room 209 in Building 22; size: 40
Presentations
2:00pm - 2:20pm A Quasi Time-Reversible Grassmann extrapolation of density matrices for accelerating Born-Oppenheimer molecular dynamics
F. Pes 1 , É. Polack2 , P. Mazzeo1 , G. Dusson3 , B. Stamm4 , F. Lipparini1
1 University of Pisa; 2 École des Ponts ParisTech, France; 3 Université de Franche-Comté, France; 4 University of Stuttgart
2:20pm - 2:40pm A Posteriori Error Analysis for Kohn-Sham Equations with Convex Exchange-Correlation Functionals
R. A. Lainez Reyes
University of Stuttgart
2:40pm - 3:00pm Applying a Well-Defined Energy Density for Machine-Learned Density Functionals
E. Polak , S. Vuckovic, H. Zhao
University of Fribourg, Switzerland
3:00pm - 3:20pm Moreau-Yosida Regularization in Density-Functional Theory
A. Laestadius
Oslo Metropolitan University
