3 papers
cs.LG2025
Self-Supervised Coarsening of Unstructured Grid with Automatic Differentiation
Sergei Shumilin, Alexander Ryabov, Nikolay Yavich +2
Due to the high computational load of modern numerical simulation, there is a demand for approaches that would reduce the size of discrete problems while keeping the accuracy reaso…
physics.comp-ph2025
On the practical applicability of modern DFT functionals for chemical computations. Case study of DM21 applicability for geometry optimization
Kirill Kulaev, Alexander Ryabov, Michael Medvedev +2
Density functional theory (DFT) is probably the most promising approach for quantum chemistry calculations considering its good balance between calculations precision and speed. In…
cs.CG2024
A Method for Auto-Differentiation of the Voronoi Tessellation
Sergei Shumilin, Alexander Ryabov, Serguei Barannikov +2
Voronoi tessellation, also known as Voronoi diagram, is an important computational geometry technique that has applications in various scientific disciplines. It involves dividing…