Can Ataca

University of Maryland, Baltimore County — United States

Materials Science · Physical Sciences

32h-index8.0kcitations94works2.42yr avg
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Research Topics

2D Materials and Applications(45), Graphene research and applications(21), Machine Learning in Materials Science(13), MXene and MAX Phase Materials(12), Perovskite Materials and Applications(11)

Publications94 total

Bridging Nanostructure Growth and Gas-Sensing Kinetics in Metal-Functionalized Graphene Using Machine-Learned Molecular Dynamics
ACS Applied Materials & Interfaces·2026
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
Applied Physics Reviews·2025· 5 citedOpen Access
Data-Driven Molecular Dynamics and TEM Analysis of Crystal Growth and Hydrogen Sensing in Pt-Functionalized Graphene Chemiresistive Sensors
arXiv (Cornell University)·2025Open Access
Quantum Monte Carlo and Density Functional Theory Study of Strain and Magnetism in 2D 1T-VSe<sub>2</sub> with Charge Density Wave States
ACS Nano·2025· 2 cited
Surface functionalization and atomic layer deposition of metal oxides on MoS2 surfaces
2024
Quantum Monte Carlo and density functional theory study of strain and magnetism in 2D 1T-VSe$_2$ with charge density wave states
arXiv (Cornell University)·2024· 2 citedOpen Access
Prediction of Frequency-Dependent Optical Spectrum for Solid Materials: A Multioutput and Multifidelity Machine Learning Approach
ACS Applied Materials & Interfaces·2024· 8 cited
Prediction of Frequency-Dependent Optical Spectrum for Solid Materials: A Multi-Output &amp; Multi-Fidelity Machine Learning Approach
arXiv (Cornell University)·2024· 1 citedOpen Access
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
arXiv (Cornell University)·2024· 1 citedOpen Access
Modeling Chemical Exfoliation of Non-van der Waals Chromium Sulfides by Machine Learning Interatomic Potentials and Monte Carlo Simulations
The Journal of Physical Chemistry C·2024· 5 cited
Modeling Chemical Exfoliation of Non-van der Waals Chromium Sulfides by Machine Learning Interatomic Potentials and Monte Carlo Simulations
arXiv (Cornell University)·2023Open Access
A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe<sub>2</sub>
The Journal of Physical Chemistry Letters·2023· 15 citedOpen Access
Experimental and Theoretical Studies of the Surface Oxidation Process of Rare‐Earth Tritellurides
Advanced Electronic Materials·2023· 10 citedOpen Access
A Quantum Monte Carlo study of the structural, energetic, and magnetic properties of two-dimensional (2D) H and T phase VSe$_2$
arXiv (Cornell University)·2023Open Access
Intrinsic Ferromagnetism of Two-Dimensional (2D) MnO<sub>2</sub> Revisited: A Many-Body Quantum Monte Carlo and DFT+<i>U</i> Study
The Journal of Physical Chemistry C·2022· 12 citedOpen Access
Experimental and Theoretical Study on the Possible Half-Metallic Behavior of Co2-Xvxfege Heusler Alloys
SSRN Electronic Journal·2022· 1 citedOpen Access
A pathway toward high-throughput quantum Monte Carlo simulations for alloys: A case study of two-dimensional (2D) GaS<i>x</i>Se1−<i>x</i>
The Journal of Chemical Physics·2021· 11 citedOpen Access
Abnormal Phase Transition and Band Renormalization of Guanidinium-Based Organic–Inorganic Hybrid Perovskite
ACS Applied Materials & Interfaces·2021· 17 cited
Comprehensive Study of Lithium Adsorption and Diffusion on Janus Mo/WXY (X, Y = S, Se, Te) Using First-Principles and Machine Learning Approaches
ACS Applied Materials & Interfaces·2021· 105 citedOpen Access
Comprehensive Study of Lithium Adsorptionand Diffusion on Janus Mo/WXY (X, Y= S,Se, Te) using First Principles and MachineLearning Approaches
arXiv (Cornell University)·2021· 1 citedOpen Access
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Frequent Co-authors

S. Çiraci(17), Daniel Wines(15), Jeffrey C. Grossman(10), Sefaattin Tongay(9), Kayahan Saritas(9), Fatih Ersan(8), Akram Ibrahim(6), Hasan Şahin(5), Ethem Aktürk(5), Jaron T. Krogel(5), Jingbo Li(4), Jian Zhou(3), Junqiao Wu(3), Shengxue Yang(3), Hui Cai(3), Seymur Cahangirov(3), Engin Durgun(3), Bin Chen(3), Brenda M. Rubenstein(3), Tyler S. Matthews(2)