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      • Chair of Civil Defense
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      • Information Technologies Educational and Research Center
    • Column Wrapper
      • YSU STEM High School
      • YSU Ijevan Branch
    • Scientific Centers and Laboratories
      • American Studies Center
      • Psychology Research Center
      • Research Laboratory of Applied Sociology
      • Center for Mathematical and Applied Research
      • Institute for Armenian Studies
      • Research Center for Chemistry
      • Research Institute of Biology
      • Research Institute of Physics
      • Research Center for the Institute of Pharmacy
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      • Scientific and Educational Center for Control and Monitoring of the Quality of Medicines
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      • Research Center-Library of Greek Studies
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      • Center for Russian Studies
      • Distance Learning Laboratory of Sociology
    • Column Wrapper
      • Banner
    • Administrative Divisions of YSU
      • Academic Secretary
      • Center for Doctoral Education
      • General Division
      • YSU History Museum
      • Department of Energy System Operation
      • Financial Analysis Department
      • Human Resources Department
      • Center for Admissions and Affairs with Applicants
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  1. Main
  2. Employees
  3. Hayk Ashot Zakaryan
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hayk.zakaryan@ysu.am

Hayk Ashot Zakaryan

Նյութագիտության և նանոտեխնոլոգիաների գիտական կենտրոն
Հաշվարկային նյութագիտության լաբորատորիա
head of laboratory

Personal information

Date of birth
1991
Education
Institution
Yerevan State University
Faculty
Radiophysics
Date
2014 - 2017
Degree name
PhD student
Institution
Yerevan State University
Faculty
Radiophysics
Date
2012 - 2014
Degree name
Masters
Institution
Yerevan State University
Faculty
Radiophysics
Date
2008 - 2012
Degree name
Bachelor
Scientific Rank/degree
Institution
Yerevan State University
Date
2017
Degree name
Candidate
Scientific Supervisor
Vladimir Aroutiounian
Research Topic
Investigation of gas adsorption on the tin dioxide surface using density functional theory
Language skills
Հայերեն
English
Русский

Publications

- Կատեգորիա -
Article
Computational screening for novel solid-state electrolytes in Li3MX6 composition
Hayk A. Zakaryan
Olgert L. Dallakyan
Alexey P. Maltsev
Ilya V. Chepkasov
Misha A. Aghamalyan
Areg A. Hunanyan
Nane Z. Petrosyan
Mikayel S. Chobanyan
Mikayel T. Sahakyan
Luiza G. Khachatryan
Artem R. Oganov
Journal of Energy Chemistry
2026
495-504
Article
Towards structure-property prediction in DyF3 nanoclusters
Regina M. Burganova
Zafari Umar
Ilya V. Chepkasov
Hayk Zakaryan
Irina I. Piyanzina
Computational and Theoretical Chemistry
2026
115657
https://www.sciencedirect.com/science/article/pii/S2210271X26000010?via%3Dihub
Article
Computational Discovery of Li6PO5I: An Oxide Argyrodite for Solid-State Electrolytes
Nane Petrosyan
Areg Hunanyan
Olgert Dallakyan
Luiza Khachatryan
Mikayel Sahakyan
Mikayel Chobanyan
Hayk Zakaryan
ACS Applied Energy Materials
2026
1159–1167
https://pubs.acs.org/doi/10.1021/acsaem.5c03545
Article
Dielectric function of layered GaSe0.8Te0.2 and emergent all van der Waals optical elements
A. V. Margaryan
M. L. Sargsyan
I. I. Piyanzina
D. A. Karakhanyan
M. H. Hayrapetyan
M. A. Levonyan
H. A. Zakaryan
K. S. Novoselov
D. A. Ghazaryan
Scientific Reports
2026
12551
https://doi.org/10.1038/s41598-026-42182-y
Article
Machine-learning-accelerated discovery of amorphous lithium-ion electrolytes
Areg Hunanyan
Hayk Zakaryan
Computational Materials Science
2026
114732
https://doi.org/10.1016/j.commatsci.2026.114732
Article
Glaser Heterocoupling Reaction for the Synthesis of Enantiomerically Enriched Unnatural α-Amino Acids Incorporating Asymmetric Diyne Moieties: Mechanistic Insights and Optimization
Liana Hayriyan
Anna Tovmasyan
Anna Grigoryan
Karapet Ghazaryan
Barbara Biondi
Olgert L. Dallakyan
Mikayel S. Chobanyan
Hayk Zaqaryan
Ashot Saghyan
Anna Mkrtchyan
ACS Omega
2025
A-G
Article
DFT analysis of furan-based covalent organic framework as electrode materials for lithium and calcium ion batteries
Irina Piyanzina
Aigul Shamsieva
Alexander Evseev
Sadegh Kaviani
Oleg Nedopekin
Hayk Zakaryan
Computational and Theoretical Chemistry
2025
115445
Article
A DFT study on an 18-crown-6-like-N8 structure as a material for metal ion storage: stability and performance
Hayk Zakaryan
Irina I.Piyanzina
Sadegh Kaviani
Regina M. Burganova
Oleg V. Nedopekin
Sustainable Energy & Fuels
2025
5075-5084
Article
DFT investigation of magnetocrystalline anisotropy in Fe, Co, Pd0.97Co0.03 and Pd0.97Fe0.03 systems: from bulk to thin-films
Irina I. Piyanzina
Regina M. Burganova
Hayk Zakaryan
Zarina I. Minnegulova
Igor V. Yanilkin
Amir I. Gumarov
The European Physical Journal Plus
2025
949
Article
Accelerated composition optimization of hybrid perovskites via data-driven materials design, DFT calculations and synthesis
Sona Grigoryan
Nane Petrosyan
Gurgen Kolotyan
Arpine Kozmanyan
Varazdat Avetisyan
Hayk Zakaryan
Michael J. Schöning
Arevik Asatryan
Hayk Khachatryan
Materials & Design
2025
114902
Article
Gas sensing properties of two dimensional tin oxides: A DFT study
Areg Hunanyan
Nane Petrosyan
Hayk Zakaryan
Applied Surface Science
2024
160814
Article
Material hardness descriptor derived by symbolic regression
Hayk A. Zakaryan
Christian Tantardini
Zhong-Kang Han
Tariq Altalhi
Sergey V. Levchenko
Alexander G. Kvashnin
Boris I. Yakobson
Journal of Computational Science
2024
102402
Article
Synthesis and evaluation of new mono- and binuclear salen complexes for the Cα-alkylation reaction of amino acid substrates as chiral phase transfer catalysts
Anahit M. Hovhannisyan
Anna S. Tovmasyan
Anna F. Mkrtchyan
Karapet R. Ghazaryan
Ela V. Minasyan
Olgert L. Dallakyan
Mikayel S. Chobanyan
Hayk Zakaryan
Giovanni N. Roviello
Ashot S. Saghyan
Molecular Catalysis
2024
114618
Article
Computational Design of Gas Sensors Based on V3S4 Monolayer
Hayk A. Zakaryan
Misha A. Aghamalyan
Yevgeni Sh. Mamasakhlisov
Ilya V. Chepkasov
Ekaterina V. Sukhanova
Alexander G. Kvashnin
Anton M. Manakhov
Zakhar I Popov
Dmitry G. Kvashnin
Nanomaterials
2022
774
Article
2D-Mo3S4 phase as promising contact for MoS2
H.A. Zakaryan
M.A. Aghamalyan
E.V. Sukhanova
A.G. Kvashnin
L.A. Bereznikova
D.G. Kvashnin
Z.I. Popov
Applied Surface Science
2022
152971
Article
Adsorption of Hydrogen Peroxide on Two-Dimensional Transition Metal Chalcogenides
M. A. Aghamalyan
V. M. Aroutiounian
E. S. Mamasakhlisov
E. V. Sukhanova
A. G. Kvashnin
Z. I. Popov
A. A. Zakaryan
Journal of Contemporary Physics (Armenian Academy of Sciences)
2022
170-173
Article
Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search
E. V. Sukhanova
A. G. Kvashnin
M. A. Agamalyan
H. A. Zakaryan
Z. I. Popov
JETP Letters
2022
292-296
Article
Computational Search and Stability Analysis of Two-Dimensional Tin Oxides
Areg A. Hunanyan
Hayk A. Zakaryan
Vladimir M. Aroutiounian
The Journal of Physical Chemistry C
2022
4647–4654
Article
Influence of UV Rays on the Volt-Capacity Characteristic of SnO2:Co Sensor of Vapors of Hydrogen Peroxide
M. S. Aleksanyan
A. G. Sayunts
A. A. Zakaryan
V. M. Aroutiounian
V. M. Arakelyan
G. E. Shakhnazary
Journal of Contemporary Physics (Armenian Academy of Sciences)
2020
151-156
Article
Investigations of Sensors for Detection of Hydrogen Peroxide Vapors under the Influence of UV Illumination
M. S. Aleksanyan
A. G. Sayunts
A. A. Zakaryan
V. M. Harutyunyan
V. M. Arakelyan
G. E. Shakhnazaryan
Journal of Contemporary Physics (Armenian Academy of Sciences)
2020
205-212

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