Sergei Manzhos

42PUBLICATIONS
42CO-AUTHORS
Biomolecular modelling and designTheoretical quantum chemistryAtomic and molecular physicsDeep learningElectronic and magnetic properties of condensed matter; superconductivity
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Publications (42)

|Jun 15, 2026
Informatics-Guided Computational Design of Polyaromatic Hydrocarbons Suitable for Use as Hole Transport Materials.

|Mar 27, 2026
Machine Learning-Enhanced Orbital-Free Density Functional Theory.

Min Chen, Michele Pavanello, Wenhui Mi

|Feb 17, 2026
A Study of Applicability of Density Functional Tight Binding-Molecular Mechanics Approach for the Calculation of Optical Properties.

Tengxiang Li, Ruicheng Li, Keisuke Kameda

|Sep 16, 2025
Erratum: "Machine learning of kinetic energy densities with target and feature smoothing: Better results with fewer training data" [J. Chem. Phys. 159, 234115 (2023)].

Sergei Manzhos, Johann Lüder, Manabu Ihara

|Mar 26, 2025
Exploring the electronic properties of carbon nanoflake-based charge transport materials for perovskite solar cells: a computational study.

Ruicheng Li, Keisuke Maeda, Keisuke Kameda

|Feb 28, 2025
Accelerated Development of Novel Biomass-Based Polyurethane Adhesives via Machine Learning.

Ye Cheng, Takuma Araki, Naofumi Kamimura

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Frequent Collaborators

9 joint publications

Manabu Ihara

4 joint publications

Daniel Koch

3 joint publications

Prashant Sonar

3 joint publications

Johann Lüder