Alexander Yu Sokolov

31PUBLICATIONS
118CO-AUTHORS
Formal methods for softwareMetal organic frameworksTheoretical quantum chemistryReaction engineering (excl. nuclear reactions)Condensed matter modelling and density functional theory
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Publications (31)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Jul 06, 2026
Structure, Stability, and Spin Resonance in Dicopper(II) Complexes.

|May 06, 2026
Molecular g-tensors from spin-orbit quasidegenerate N-electron valence perturbation theory: Benchmarks, intruder-state mitigation, and practical guidelines.

|Sep 18, 2025
Cytochrome P450 Induction through the Efficient Photoinduced Release of a Pyridine-Substituted Agent from Ru(II).

Kelli Hummel, Sayak Gupta, Alexia Marques Silva

|Aug 04, 2025
Core-Ionized States and X-ray Photoelectron Spectra of Solids from Periodic Algebraic Diagrammatic Construction Theory.

Abdelrahman M Ahmed, Alexander Yu Sokolov

|Feb 20, 2025
Algebraic Diagrammatic Construction Theory of Charged Excitations with Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation.

Rajat Majumder, Alexander Yu Sokolov

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Frequent Collaborators

4 joint publications

Carlos E V de Moura

3 joint publications

Samragni Banerjee

3 joint publications

Terrence L Stahl

3 joint publications

Shiyu Zhang