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Journal of Molecular Graphics & Modelling
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August 19, 2019
First principles investigation on elastic, optoelectronic and thermoelectric properties of KYX (X = Ge, Sn and Pb) half-heusler compounds
Mosayeb Naseri, D M Hoat
Physical Chemistry Chemical Physics : PCCP
|
June 2, 2025
First-principles investigation of a two-dimensional magnesium carbide monolayer: tunable bandgap, light carriers, and strain-induced topological and semiconductor-to-metal transitions
Mosayeb Naseri, Shahram Yalameha, Sergey Gusarov
The Journal of Physical Chemistry Letters
|
July 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
Journal of Molecular Graphics & Modelling
|
December 3, 2019
Theoretical prediction of 2D XI<sub>2</sub> (X=Si, Ge, Sn, Pb) monolayers by density functional theory
Mosayeb Naseri, D M Hoat, Khaled Salehi, et al.
Computation (Basel, Switzerland)
|
August 1, 2022
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon
Mosayeb Naseri, Jaafar Jalilian, Dennis R Salahub, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2025
Janus group V1B-based pnictogen-halide monolayers: a new class of multifunctional quantum materials from first-principles predictions
Sergey Gusarov, Chinedu E Ekuma, Gap Soo Chang, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 22, 2024
A new highly stable multifunctional two-dimensional Si<sub>2</sub>BN monolayer quantum material with a direct bandgap predicted by density functional theory
Bezzerga Djamel, Naouel Chelil, Sahnoun Mohammed, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2025
Seeking metal-organic frameworks for hydrogen storage using classical and quantum active learning
Maicon Pierre Lourenço, Rishabh Shukla, Mosayeb Naseri, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2026
Exploring quantum active learning for materials design and discovery
Maicon Pierre Lourenço, Hadi Zadeh-Haghighi, Jiří Hostaš, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 13, 2023
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, et al.
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Search research articles
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Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Molecular Graphics & Modelling
|
August 19, 2019
First principles investigation on elastic, optoelectronic and thermoelectric properties of KYX (X = Ge, Sn and Pb) half-heusler compounds
Mosayeb Naseri, D M Hoat
Physical Chemistry Chemical Physics : PCCP
|
June 2, 2025
First-principles investigation of a two-dimensional magnesium carbide monolayer: tunable bandgap, light carriers, and strain-induced topological and semiconductor-to-metal transitions
Mosayeb Naseri, Shahram Yalameha, Sergey Gusarov
The Journal of Physical Chemistry Letters
|
July 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
Journal of Molecular Graphics & Modelling
|
December 3, 2019
Theoretical prediction of 2D XI<sub>2</sub> (X=Si, Ge, Sn, Pb) monolayers by density functional theory
Mosayeb Naseri, D M Hoat, Khaled Salehi, et al.
Computation (Basel, Switzerland)
|
August 1, 2022
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon
Mosayeb Naseri, Jaafar Jalilian, Dennis R Salahub, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2025
Janus group V1B-based pnictogen-halide monolayers: a new class of multifunctional quantum materials from first-principles predictions
Sergey Gusarov, Chinedu E Ekuma, Gap Soo Chang, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 22, 2024
A new highly stable multifunctional two-dimensional Si<sub>2</sub>BN monolayer quantum material with a direct bandgap predicted by density functional theory
Bezzerga Djamel, Naouel Chelil, Sahnoun Mohammed, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2025
Seeking metal-organic frameworks for hydrogen storage using classical and quantum active learning
Maicon Pierre Lourenço, Rishabh Shukla, Mosayeb Naseri, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2026
Exploring quantum active learning for materials design and discovery
Maicon Pierre Lourenço, Hadi Zadeh-Haghighi, Jiří Hostaš, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 13, 2023
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, et al.
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of 2