@article{article, author = {Zhu Haoyue, NAYİR NADİRE, Choudhury Tanushree, Anushka Bansal, Huet Benjamin, Zhang Kunyang, Puretzky Alexander A., Bachu Saiphaneendra, York Krystal, Mc Knight Thomas V., Trainor Nicholas, Oberoi Aaryan, Wang Ke, Das Saptarshi, Makin Robert A., Durbin Steven, Huang Shengxi, Alem Nasim, Crespi Vincent, van Duin Adri, Redwin Joan}, title = {Step engineering for nucleation and domain orientation control in WSe2 epitaxy on c-plane sapphire}, journal = {Springer Science and Business Media LLC}, year = 2023, month = 7 }

@article{article, author = {Bachu Saiphaneendra, Kowalik Malgorzata, Huet Benjamin, NAYİR NADİRE, Dwivedi Swarit, Hickey Danielle, Qian Chenhao, Snyder David W., Rotkin Slava, Redwing Joan, van Duin Adri, Alem Nasim}, title = {Role of Bilayer Graphene Microstructure on the Nucleation of WSe2 Overlayers}, journal = {American Chemical Society (ACS)}, year = 2023, month = 6, volume = 17 }

@article{article, author = {NAYİR NADİRE, Mao Qian, Wang Tao, Kowalik Malgorzata, Zhang Yuwei, Wang Mengyi, Dwivedi Swarit, Jeong Ga-Un, Shin Yun, van Duin Adri}, title = {Modeling and simulations for 2D materials: a ReaxFF perspective}, journal = {IOP Publishing}, year = 2023, month = 6, volume = 10 }

@article{article, author = {NAYİR NADİRE, Bartolucci Stephen, Wang Tao, CHEN CHEN, Maurer Joshua, Joan Redwing, van Duin Adri}, title = {Modulation Effect of Substrate Interactions on Nucleation and Growth of MoS2 on Silica}, journal = {American Chemical Society (ACS)}, year = 2023, month = 5, volume = 127 }

@article{article, author = {Lin Yu-Chuan, Torsi Riccardo, Younas Rehan, Hinkle Christopher L, Rigosi Albert F, Hill Heather M, Zhang Kunyan, Huang Shengxi, Shuck Christopher E, CHEN CHEN, Lin Yu-Hsiu, Maldonado-Lopez Daniel, Mendoza-Cortes Jose L, Ferrier John, Kar Swastik, NAYİR NADİRE, Rajabpour Siavash, van Duin Adri, Liu Xiwen, Jariwala Deep, Jiang Jie, Shi Jian, Mortelmans Wouter, Jaramillo Rafael, Lopes Joao Marcelo J, Engel-Herbert Roman, Trofe Anthony, Ignatova Tetyana, Lee Seng Huat, Mao Zhiqiang, Damian Leticia, Wang Yuanxi, Steves Megan A, Jr Kenneth L Knappenberger, Wang Zhengtianye, Law Stephanie, Bepete George, Zhou Da, Lin Jiang-Xiazi, Scheurer Mathias S, Li Jia, Wang Pengjie, Yu Guo, Wu Sanfeng, Akinwande Deji, Joan Redwing, Terrones Mauricio, Joshua Robinson}, title = {Recent Advances in 2D Material Theory, Synthesis, Properties, and Applications}, journal = {American Chemical Society (ACS)}, year = 2023, month = 5, volume = 17 }

@inproceedings{inproceedings, author = {Kowalik Malgorzata, NAYİR NADİRE, Bachu Saiphaneendra, Dwivedi Swarit, Alem Nasim, van Duin Adri}, title = {Atomistic simulations of double layer graphene structure and its reactivity}, year = 2023, month = 3 }

@article{article, author = {Chin Jonathan R, Frye Marshall B, Liu Derrick Shao-Heng, Hilse Maria, Graham Ian C, Shallenberger Jeffrey, Wang Ke, Engel-Herbert Roman, Wang Mengyi, Shin Yun, NAYİR NADİRE, van Duin Adri, Garten Lauren M}, title = {Self-limiting stoichiometry in SnSe thin films}, journal = {Royal Society of Chemistry (RSC)}, year = 2023, month = 1, volume = 15 }

@article{article, author = {Anushka Bansal, NAYİR NADİRE, Wang Ke, Patrick Rondomanski Patrick, Kumari Shalini, Subramanian Shruti, van Duin Adri, Joshua Robinson, Joan Redwing}, title = {Toward a Mechanistic Understanding of the Formation of 2D-GaNx in Epitaxial Graphene}, journal = {American Chemical Society (ACS) Nano}, year = 2022, month = 12 }

@inproceedings{inproceedings, author = {Zhang Na, Sanchez David, NAYİR NADİRE, Zhang Tianyi, Zhou Da, Liu Mingzu, Yu Zhuohang, Terrones Mauricio, van Duin Adri, Wang Ke, Ji Yanzhou}, title = {Star-Shaped WS2 Monolayers with Twin Grain Boundaries Promoted by Molybdenum Atoms}, year = 2022, month = 11 }

@inproceedings{inproceedings, author = {Campbell Ian, NAYİR NADİRE, Kuespert S., Fischher A., van Duin Adri, Mohney Suzanne}, title = {A Computational and Experimental Investigation of Platinum Vapor Deposition Reactions on Oxygen and Nitrogen Functionalized Carbon}, year = 2022, month = 11 }

@article{article, author = {Momeni Kasra, Ji Yanzhou, NAYİR NADİRE, Sakib Nuruzzaman, Zhu Haoyue, Paul Shiddartha, Choudhury Tanushree, Neshani Sara, van Duin Adri, Joan Redwing, Chen Long Qing}, title = {A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials}, journal = {Nature npj Computational Materials}, year = 2022, month = 11, volume = 8 }

@article{article, author = {Mao Qian, Zhang Yuwei, NAYİR NADİRE, Kowalik Malgorzata, van Duin Adri, Chandross Michael}, title = {Oxidation and hydrogenation of monolayer MoS2 with compositing agent under environmental exposure: The ReaxFF Mo/Ti/Au/O/S/H force field development and applications}, journal = {Frontiers Media SA}, year = 2022, month = 10, volume = 4 }

@article{article, author = {Campbell Ian, NAYİR NADİRE, van Duin Adri, Mohney Suzanne}, title = {Effect of Nitrogen Doping and Oxidation of Graphene on the Deposition of Platinum from Trimethyl(methylcyclopentadienyl)platinum(IV)}, journal = {The Journal of Physical Chemistry C}, year = 2022, month = 9, volume = 126 }

@article{article, author = {Sakib Nuruzzaman, Paul Shiddartha, NAYİR NADİRE, van Duin Adri, Neshani Sara, Momeni Kasra}, title = {Role of tilt grain boundaries on the structural integrity of WSe2 monolayers}, journal = {Physical Chemistry Chemical Physics}, year = 2022, month = 7 }

@article{article, author = {NAYİR NADİRE, Sengul Mert, Costine Anna, Reinke Petra, Rajabpour Siavash, Bansal Anushka, Kozhakhmetov Azimkhan, Robinson Joshua, Redwing Joan, van Duin Adri}, title = {Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF Molecular Dynamics Simulations}, journal = {Carbon}, year = 2022, month = 4 }

@article{article, author = {NAYİR NADİRE}, title = {Theoretical Investigation of W(CO)6 and CO Selenization Process}, journal = {Sakarya University Journal of Science}, year = 2022, number = 2, pages = {283-291}, month = 4, volume = 26 }

@inproceedings{inproceedings, author = {NAYİR NADİRE}, title = {Comparative Study of Edge Energetics of Transition Metal Diselenides}, year = 2022, month = 3 }

@article{article, author = {NAYİR NADİRE}, title = {Density functional study of Ga intercalation at graphene/SiC heterointerface}, journal = {Journal of Materials Research}, year = 2022, month = 3, volume = 37 }

@inproceedings{inproceedings, author = {NAYİR NADİRE}, title = {Tuning Heteropolar Bonding Strengths of Pair atoms in a Multicomponent Si/O/Ge Systems at Tersoff Level: A Molecular Dynamics Study}, year = 2022, month = 2 }

@inproceedings{inproceedings, author = {NAYİR NADİRE, Wang Yuanxi, Hickey Danielle, Ji Yanzhou, Choudhury Tanushree, Chen Long Qing, Alem Nasim, Joan Redwing, Crespi Vincent, van Duin Adri}, title = {A New Computational Framework for Structural Characterization and Edge-Growth Kinetics of Transition Metal Dichalcogenides—Reaxff Reactive Force Field}, year = 2021, month = 11 }

@article{article, author = {Akbarian Dooman, NAYİR NADİRE, van Duin Adri}, title = {Understanding physical chemistry of Ba<sub><i>x<\/i><\/sub>Sr<sub>1−<i>x<\/i><\/sub>TiO<sub>3<\/sub> using ReaxFF molecular dynamics simulations}, journal = {Physical Chemistry Chemical Physics}, year = 2021, month = 10, volume = 23 }

@inproceedings{inproceedings, author = {NAYİR NADİRE, Wang Yuanxi, Hickey Danielle, Ji Yanzhou, Xuan Yuan, Choudhury Tanushree, Joan Redwing, Chen Long Qing, Alem Nasim, Crespi Vincent, van Duin Adri}, title = {Computational modeling of 2D materials}, year = 2021, month = 9 }

@article{article, author = {NAYİR NADİRE, Wang Yuanxi, Ji Yanzhou, Choudhury Tanushree, Joan Redwing, Chen Long Qing, Crespi Vincent, van Duin Adri}, title = {Theoretical modeling of edge-controlled growth kinetics and structural engineering of 2D-MoSe2}, journal = {Materials Science and Engineering: B}, year = 2021, month = 9, volume = 271 }

@article{article, author = {NAYİR NADİRE, Shin Yun, Wang Yuanxi, Şengül Mert, Hickey Danielle, Chubarov Mikhail, Choudhury Tanushree, Alem Nasim, Joan Redwing, Crespi Vincent, van Duin Adri}, title = {A ReaxFF Force Field for 2D-WS<sub>2<\/sub> and Its Interaction with Sapphire}, journal = {The Journal of Physical Chemistry C}, year = 2021, month = 8, volume = 125 }

@article{article, author = {Hickey Danielle, NAYİR NADİRE, Chubarov Mikhail, Choudhury Tanushree, Bachu Saiphaneendra, Miao Leixin, Wang Yuanxi, Qian Chenhao, Crespi Vincent, Joan Redwing, van Duin Adri, Alem Nasim}, title = {Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS<sub>2<\/sub> Monolayer Films}, journal = {Nano Letters}, year = 2021, month = 7, volume = 21 }

@article{article, author = {Sengul Mert, Song Yao, NAYİR NADİRE, Gao Yawei, Hung Ying, Dasgupta Tirthankar, van Duin Adri}, title = {INDEEDopt: a deep learning-based ReaxFF parameterization framework}, journal = {npj Computational Materials}, year = 2021, month = 5, volume = 7 }

@article{article, author = {Rajabpour Siavash, Mao Qian, NAYİR NADİRE, Robinson Joshua, van Duin Adri}, title = {Development and Applications of ReaxFF Reactive Force Fields for Group-III Gas-Phase Precursors and Surface Reactions with Graphene in Metal\u2013Organic Chemical Vapor Deposition Synthesis}, journal = {The Journal of Physical Chemistry C}, year = 2021, month = 1, volume = 125 }

@article{article, author = {Natalie Briggs, Bersch Brian, Wang Yuanxi, Jiang Jue, Koch Roland, NAYİR NADİRE, Wang Ke, Kolmer Marek, Ko Wonhee, Duran Ana de la Fuente, Subramanian Shruti, Dong Chengye, Shallenberger Jeffrey, Fu Mingming, Zou Qiang, Chuang Ya-wen, Gai Zheng, Li An-Ping, Bostwick Aaron, Jozwiak Chris, Chang Cui-Zu, Rotenberg Eli, Zhu Jun, van Duin Adri, Crespi Vincent, Robinson Joshua}, title = {Atomically thin half-van der Waals metals enabled by confinement heteroepitaxy}, journal = {Nature Materials}, year = 2020, month = 6, volume = 19 }

@article{article, author = {NAYİR NADİRE, Wang Yuanxi, Shabnam Sharmin, Hickey Danielle, Miao Leixin, Zhang Xiaotian, Bachu Saiphaneendra, Alem Nasim, Joan Redwing, Crespi Vincent, van Duin Adri}, title = {Modeling for Structural Engineering and Synthesis of Two-Dimensional WSe<sub>2<\/sub> Using a Newly Developed ReaxFF Reactive Force Field}, journal = {The Journal of Physical Chemistry C}, year = 2020, month = 1, volume = 124 }

@article{article, author = {NAYİR NADİRE,van Duin Adri,Erkoç Şakir}, title = {Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System}, journal = {The Journal of Physical Chemistry A}, year = 2019, number = 19, pages = {4303-4313}, month = 5, volume = 123 }

@inproceedings{inproceedings, author = {Bansal Anushka, NAYİR NADİRE, Rajapbour Siavash, Huet Benjamin, van Duin Adri, Joan Redwing}, title = {Interactions of TMGa and NH3 with defects in graphene: Towards a mechanistic understanding of 2D GaNx formation}, year = 2019, month = 2 }

@article{article, author = {Xuan Yuan, Jain Abhishek, Zafar Suhaib, Lotfi Rogayyeh, NAYİR NADİRE, Wang Yuanxi, Choudhury Tanushree, Wright Samuel, Feraca John, Rosenbaum Leonard, Joan Redwing, Crespi Vincent, van Duin Adri}, title = {Multi-scale modeling of gas-phase reactions in metal-organic chemical vapor deposition growth of WSe2}, journal = {Journal of Crystal Growth}, year = 2019, month = 1, volume = 527 }

@article{article, author = {NAYİR NADİRE,van Duin Adri,Erkoç Şakir}, title = {Development of a ReaxFF Reactive Force Field for Interstitial Oxygen in Germanium and Its Application to GeO<sub>2<\/sub>/Ge Interfaces}, journal = {The Journal of Physical Chemistry C}, year = 2018, number = 2, pages = {1208-1218}, month = 12, volume = 123 }

@article{article, author = {NAYİR NADİRE,TAŞCI EMRE,Erkoç Şakir}, title = {Structural properties of indium phosphide nanorods: molecular dynamics simulations}, journal = {International Journal of Nanotechnology}, year = 2016, pages = {809}, month = 1, volume = 13 }

@inproceedings{inproceedings, author = {NAYİR NADİRE, TAŞCI EMRE, Özyurt İrem, YERCİ SELÇUK, Erkoç Şakir}, title = {Sıvı faz epitaksi ile tek kristal germanyumunyalıtkan üzerine üretilmesinin moleküler dinamik benzetimi ile incelenmesi}, year = 2015, month = 10 }

@article{article, author = {NAYİR NADİRE,TAŞCI EMRE,Şakir ERKOÇ}, title = {Structural and Thermal Properties of Indium Phosphide Nanoparticles Molecular Dynamics Simulations}, journal = {Journal of Computational and Theoretical Nanoscience}, year = 2015, number = 9, pages = {2134-2139}, month = 9, volume = 12 }

@inproceedings{inproceedings, author = {NAYİR NADİRE,TAŞCI EMRE,Şakir Erkoç}, title = {Structural properties of InP nanorods under mechanical effects and heat treatment}, year = 2015, month = 6 }

@inproceedings{inproceedings, author = {NAYİR NADİRE, TAŞCI EMRE, Özyurt İrem, YERCİ SELÇUK, Erkoç Şakir}, title = {Optimization of seed-induced lateral liquid beam epitaxy growth of germanium on insulator by molecular dynamics}, year = 2015, month = 6 }

@inproceedings{inproceedings, author = {NAYİR NADİRE, TAŞCI EMRE, YERCİ SELÇUK, Erkoç Şakir}, title = {Moleküler dinamik benzetimi ile yalıtkan üzerine germanyum sisteminin incelenmesi}, year = 2014, month = 12 }