Sergey Gusarov

10PUBLICATIONS
24CO-AUTHORS
Electrical energy generation (incl. renewables, excl. photovoltaics)Nuclear engineering (incl. fuel enrichment and waste processing and storage)PhotochemistryInorganic materials (incl. nanomaterials)Computational chemistry
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Publications (10)

|Jan 27, 2026
In-Plane Graphene Moieties Embedded in Carbon Nitride Extend Conjugation, Narrow the Electronic Bandgap, and Generate a 10-fold Enhancement in Visible Light-Driven Photoelectrochemical Performance.

Kazi M Alam, Md Masud Rana, Navneet Kumar

|Oct 21, 2025
Seeking metal-organic frameworks for hydrogen storage using classical and quantum active learning.

Maicon Pierre Lourenço, Rishabh Shukla, Mosayeb Naseri

|May 11, 2024
Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments.

Sergey Gusarov

|Jul 27, 2023
Quantum Machine Learning in Materials Prediction: A Case Study on ABO<sub>3</sub> Perovskite Structures.

Mosayeb Naseri, Sergey Gusarov, D R Salahub

|May 18, 2022
Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory.

Norio Yoshida, Yutaka Maruyama, Ayori Mitsutake

|Nov 06, 2021
Comment on "Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and Fe<sub>3</sub>O<sub>4</sub>-based nanocatalysts".

Sergey Gusarov

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Frequent Collaborators

4 joint publications

Pawan Kumar

4 joint publications

Karthik Shankar

3 joint publications

Kazi M Alam

2 joint publications

Guy M Bernard