Theoretical Chemistry Group - Faculty for Chemistry and Pharmacy

Viktoria Drontschenko

Viktoria Drontschenko, M.Sc., PhD student
Room: BZ5.001
Phone: +49 89 2180-72404
E-Mail: Viktoria.Drontschenko[at]cup.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).