Viktoria Drontschenko, M.Sc., PhD student | ||
Room: | BZ5.001 | |
Phone: | +49 89 2180-72404 | |
E-Mail: | Viktoria.Drontschenkocup.uni-muenchen.de |
Research interests:
I work on method development with a primary focus on the Random Phase Approximation (RPA). RPA is a fully non-empirical post-Kohn-Sham method and it stands on the fifth and highest rung of Perdew's Jacob's ladder. In my research I focus on improving the computational efficiency as well as accuracy of RPA in the quest of making it the method of choice in computational applications.
Publications:
5 | V. Drontschenko, C. Ochsenfeld, "Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation using Cholesky-Decomposed Densities and an Attenuated Coulomb Metric", J. Phys. Chem. A, 128, 7950-7965 (2024). |
4 | S. Fauser, V. Drontschenko, C. Ochsenfeld, A. Görling, "Accurate NMR shieldings with σ-functionals", J. Chem. Theory Comput., 20, 6028-6036 (2024). |
3 | V. Drontschenko, F. H. Bangerter, C. Ochsenfeld, "Analytical Second-Order Properties for the Random Phase Approximation: Nuclear Magnetic Resonance Shieldings", J. Chem. Theory Comput., 19, 7542-7554 (2023). |
2 | V. Drontschenko, D. Graf, H. Laqua, C. Ochsenfeld, "Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation", J. Chem. Theory Comput., 18, 7359-7372 (2022). |
1 | V. Drontschenko, D. Graf, H. Laqua, C. Ochsenfeld, "A Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation Energy", J. Chem. Theory Comput., 17, 5623–5634 (2021). |