Sergey Gusarov - Publications, H-index & Citations

Sergey Gusarov

national research council canada

31H指数

115论文数

3.2K被引数

收录论文 36

发表时间

Integrating the Theory of Inventive Problem Solving with Large Language Models: Enhancing Reasoning for Innovation in Materials Science at the Molecular Scale 将发明问题解决理论与大语言模型集成：在分子尺度上增强材料科学创新中的推理

ChemEngineering

IF3.4

2026-04-22

OAAI

Sergey Gusarov; Svetlana Sapelnikova; Julio J. Valdes; Anguang Hu; Stanislav R. Stoyanov

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

ACS Applied Materials and Interfaces

IF8.2

2026-01-27

PREAI

Kazi M. Alam; Md Masud Rana; Navneet Kumar; Damini Vrushabendrakumar; Pawan Kumar; Narendra Chaulagain; Harshitha Rajashekhar; John C. Garcia; Guy M. Bernard; Md Golam Kibria; Sergey Gusarov; Vladimir K. Michaelis; Alkiviathes Meldrum; Karthik Shankar

Systematic evaluation of hardware-efficient ansätze for accurate quantum chemistry calculation in hybrid quantum algorithms 硬件高效型ansätze在混合量子算法中实现精确量子化学计算的系统性评估

Computational and Theoretical Chemistry

IF2.8

2025-10-11

PREAI

Mosayeb Naseri; Gabriela Sanchez Diaz; Dennis R. Salahub; Sergey Gusarov

ABO3 materials clustering with quantum swap-test algorithm ABO₃材料的量子交换测试算法聚类

Computational Materials Science

IF3.3

2025-08-07

PREAI

Mosayeb Naseri; Maicon Pierre Lourenço; Viki Kumar Prasad; Rishabh Shukla; Yasna Naseri; Gabriela Sanchez Diaz; Daya Gaur; Sergey Gusarov; D.R. Salahub

Janus group V1B-based pnictogen-halide monolayers: a new class of multifunctional quantum materials from first-principles predictions Janus group V1B-based pnictogen-halide monolayers: 一类基于第一性原理预测的新型多功能量子材料

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2025-01-01

OAAI

Gusarov, Sergey; Ekuma, Chinedu E.; Chang, Gap Soo; Alizade, Mina; Naseri, Mosayeb

Comprehensive DFT Study of Two-Dimensional Molybdenene and Molybdenum Carbide Phases 二维钼烯和碳化钼相的综合DFT研究

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-09-11

PREAI

Gusarov, Sergey; Jalilian, Jaafar; Chang, Gap Soo; Naseri, Mosayeb

Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments

MATERIALS

IF3.2

2024-04-30

OAAI

Gusarov, Sergey

Cathodically Inserted, Widely Dispersed Sr2+ Surface Dopants Produce a Threefold Improvement in the CO2 Photoreduction Activity of TiO2 Nanotube Arrays

ACS APPLIED ENERGY MATERIALS

IF5.5

2023-12-19

PREAI

Vrushabendrakumar, Damini; Alam, Kazi M.; Kumar, Navneet; Rajashekhar, Harshitha; Chaulagain, Narendra; Riddell, Saralyn; Kobryn, Alexander E.; Gusarov, Sergey; Shankar, Karthik

Low bandgap carbon nitride nanoparticles incorporated in titania nanotube arrays by in situ electrophoretic anodization for photocatalytic CO2 reduction

CHEMICAL ENGINEERING JOURNAL

IF13.2

2023-01-01

PREAI

Alam, Kazi M.; Chaulagain, Narendra; Shahini, Ehsan; Rana, Md Masud; Garcia, John; Kumar, Navneet; Kobryn, Alexander E.; Gusarov, Sergey; Tang, Tian; Shankar, Karthik

Unusual Electronic Properties of Cellulose Nanocrystals Conjugated to Cobalt Phthalocyanine: Long-Lived Charge Separation and Visible-Light-Driven Photocatalytic Activity

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-09-13

PREAI

Alam, Kazi M.; Kumar, Pawan; Chaulagain, Narendra; Zeng, Sheng; Goswami, Ankur; Garcia, John; Vahidzadeh, Ehsan; Bhaiyya, Manish L.; Bernard, Guy M.; Goel, Sanket; Michaelis, Vladimir K.; Kobryn, Alexander E.; Gusarov, Sergey; Shankar, Karthik

Experimental and Computational Synergistic Design of Cu and Fe Catalysts for the Reverse Water-Gas Shift: A Review 用于反向水煤气变换的Cu和Fe催化剂的实验和计算协同设计: 综述

ACS CATALYSIS

IF13.1

2022-05-26

PREAI

Pahija, Ergys; Panaritis, Christopher; Gusarov, Sergey; Shadbahr, Jalil; Bensebaa, Farid; Patience, Gregory; Boffito, Daria Camilla

Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory 基于MD和3D-RISM理论的SARS-CoV-2 RBD-ACE2-Binding过程计算分析

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-05-18

PREAI

Yoshida, Norio; Maruyama, Yutaka; Mitsutake, Ayori; Kuroda, Akiyoshi; Fujiki, Ryo; Kanemaru, Kodai; Okamoto, Daisuke; Kobryn, Alexander E.; Gusarov, Sergey; Nakano, Haruyuki

Hot hole transfer from Ag nanoparticles to multiferroic YMn2O5 nanowires enables superior photocatalytic activity

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2022-01-01

PREAI

Alam, Kazi M.; Gusarov, Sergey; Supur, Mustafa; Kumar, Pawan; Kobryn, Alexander E.; Cui, Kai; McCreery, Richard L.; Shankar, Karthik

TiO2-HfN Radial Nano-Heterojunction: A Hot Carrier Photoanode for Sunlight-Driven Water-Splitting

CATALYSTS

IF4

2021-11-14

OAAI

Zeng, Sheng; Muneshwar, Triratna; Riddell, Saralyn; Manuel, Ajay Peter; Vahidzadeh, Ehsan; Kisslinger, Ryan; Kumar, Pawan; Alam, Kazi Mohammad Monirul; Kobryn, Alexander E.; Gusarov, Sergey; Cadien, Kenneth C.; Shankar, Karthik

Photocatalytic Mechanism Control and Study of Carrier Dynamics in CdS@C3N5 Core-Shell Nanowires CdS @ C3N5核壳纳米线的光催化机理控制及载流子动力学研究

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-10-05

PREAI

Alam, Kazi M.; Jensen, Charles E.; Kumar, Pawan; Hooper, Riley W.; Bernard, Guy M.; Patidar, Aakash; Manuel, Ajay P.; Amer, Naaman; Palmgren, Anders; Purschke, David N.; Chaulagain, Narendra; Garcia, John; Kirwin, Phillip S.; Shoute, Lian C. T.; Cui, Kai; Gusarov, Sergey; Kobryn, Alexander E.; Michaelis, Vladimir K.; Hegmann, Frank A.; Shankar, Karthik

Harvesting Hot Holes in Plasmon-Coupled Ultrathin Photoanodes for High-Performance Photoelectrochemical Water Splitting

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-09-03

PREAI

Vahidzadeh, Ehsan; Zeng, Sheng; Alam, Kazi M.; Kumar, Pawan; Riddell, Saralyn; Chaulagain, Narendra; Gusarov, Sergey; Kobryn, Alexander E.; Shankar, Karthik

Synthesis and Characterization of Zinc Phthalocyanine-Cellulose Nanocrystal (CNC) Conjugates: Toward Highly Functional CNCs

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2020-06-12

PREAI

Alam, Kazi M.; Kumar, Pawan; Gusarov, Sergey; Kobryn, Alexander E.; Kalra, Aarat P.; Zeng, Sheng; Goswami, Ankur; Thundat, Thomas; Shankar, Karthik

Development of Fukui Function Based Descriptors for a Machine Learning Study of CO2 Reduction

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-04-13

PREAI

Gusarov, Sergey; Stoyanov, Stanislav R.; Siahrostami, Samira

Consistently High Voc Values in p-i-n Type Perovskite Solar Cells Using Ni3+-Doped NiO Nanomesh as the Hole Transporting Layer

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2020-01-06

PREAI

Thakur, Ujwal K.; Kumar, Pawan; Gusarov, Sergey; Kobryn, Alexander E.; Riddell, Saralyn; Goswami, Ankur; Alam, Kazi M.; Savela, Spencer; Kar, Piyush; Thundat, Thomas; Meldrum, Alkiviathes; Shankar, Karthik

Multiscale modeling of active layer of hybrid organic-inorganic solar cells for photovoltaic applications by means of density functional theory and integral equation theory of molecular liquids

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2019-09-01

PREAI

Kobryn, Alexander E.; Gusarov, Sergey; Shankar, Karthik

研究方向