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Özel Aralık Girişi

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
Frontiers Media SA, Vol. 4, Ekim 2022, ISSN: 2673-3013
MAO QİAN, ZHANG YUWEİ, NAYİR NADİRE, KOWALİK MALGORZATA, VAN DUİN ADRİ, CHANDROSS MİCHAEL
INDEEDopt: a deep learning-based ReaxFF parameterization framework
npj Computational Materials, Vol. 7, Mayıs 2021, ISSN: 2057-3960
SENGUL MERT, SONG YAO, NAYİR NADİRE, GAO YAWEİ, HUNG YİNG, DASGUPTA TİRTHANKAR, VAN DUİN ADRİ
Nadire Nayir Özgün Makale
Development of a ReaxFF Reactive Force Field for Interstitial Oxygen in Germanium and Its Application to GeO<sub>2<\/sub>/Ge Interfaces
The Journal of Physical Chemistry C, Vol. 123, No. 2, Aralık 2018, s. 1208-1218, ISSN: 1932-7447
NAYİR NADİRE,VAN DUİN ADRİ,ERKOÇ ŞAKİR
Nadire Nayir Özgün Makale
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
Physical Chemistry Chemical Physics, Vol. 23, Ekim 2021, ISSN: 1463-9076
AKBARİAN DOOMAN, NAYİR NADİRE, VAN DUİN ADRİ
Nadire Nayir Özgün Makale
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
The Journal of Physical Chemistry C, Vol. 125, Ocak 2021, ISSN: 1932-7447
RAJABPOUR SİAVASH, MAO QİAN, NAYİR NADİRE, ROBİNSON JOSHUA, VAN DUİN ADRİ
Nadire Nayir Özgün Makale
A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials
Nature npj Computational Materials, Vol. 8, Kasım 2022, ISSN: 2057-3960
MOMENİ KASRA, Jİ YANZHOU, NAYİR NADİRE, SAKİB NURUZZAMAN, ZHU HAOYUE, PAUL SHİDDARTHA, CHOUDHURY TANUSHREE, NESHANİ SARA, VAN DUİN ADRİ, JOAN REDWİNG, CHEN LONG QİNG
Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System
The Journal of Physical Chemistry A, Vol. 123, No. 19, Mayıs 2019, s. 4303-4313, ISSN: 1089-5639
NAYİR NADİRE,VAN DUİN ADRİ,ERKOÇ ŞAKİR
Nadire Nayir Özgün Makale
A New Computational Framework for Structural Characterization and Edge-Growth Kinetics of Transition Metal Dichalcogenides—Reaxff Reactive Force Field
2021 MRS Fall Meeting and Exhibit, Boston/AMERİKA BİRLEŞİK DEVLETLERİ, 30 Kasım 2021
NAYİR NADİRE, WANG YUANXİ, HİCKEY DANİELLE, Jİ YANZHOU, CHOUDHURY TANUSHREE, CHEN LONG QİNG, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
Nadire Nayir Özet Bildiri
Comparative Study of Edge Energetics of Transition Metal Diselenides
VIII. INSAC International Congress on Natural and Engineering Sciences (ICNES-2022), 18 Mart 2022
NAYİR NADİRE
Theoretical Investigation of W(CO)6 and CO Selenization Process
Sakarya University Journal of Science, Vol. 26, No. 2, Nisan 2022, s. 283-291, ISSN: 1301-4048
NAYİR NADİRE
Modeling for Structural Engineering and Synthesis of Two-Dimensional WSe<sub>2<\/sub> Using a Newly Developed ReaxFF Reactive Force Field
The Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
NAYİR NADİRE, WANG YUANXİ, SHABNAM SHARMİN, HİCKEY DANİELLE, MİAO LEİXİN, ZHANG XİAOTİAN, BACHU SAİPHANEENDRA, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
Nadire Nayir Özgün Makale
A ReaxFF Force Field for 2D-WS<sub>2<\/sub> and Its Interaction with Sapphire
The Journal of Physical Chemistry C, Vol. 125, Ağustos 2021, ISSN: 1932-7447
NAYİR NADİRE, SHİN YUN, WANG YUANXİ, ŞENGÜL MERT, HİCKEY DANİELLE, CHUBAROV MİKHAİL, CHOUDHURY TANUSHREE, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
Nadire Nayir Özgün Makale
Modeling and simulations for 2D materials: a ReaxFF perspective
IOP Publishing, Vol. 10, Haziran 2023, ISSN: 1936-0851
NAYİR NADİRE, MAO QİAN, WANG TAO, KOWALİK MALGORZATA, ZHANG YUWEİ, WANG MENGYİ, DWİVEDİ SWARİT, JEONG GA-UN, SHİN YUN, VAN DUİN ADRİ
Nadire Nayir Derleme Makale
Atomistic simulations of double layer graphene structure and its reactivity
APS March Meeting 2023, 5 Mart 2023
KOWALİK MALGORZATA, NAYİR NADİRE, BACHU SAİPHANEENDRA, DWİVEDİ SWARİT, ALEM NASİM, VAN DUİN ADRİ
Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF Molecular Dynamics Simulations
Carbon, Nisan 2022, ISSN: 0008-6223
NAYİR NADİRE, SENGUL MERT, COSTİNE ANNA, REİNKE PETRA, RAJABPOUR SİAVASH, BANSAL ANUSHKA, KOZHAKHMETOV AZİMKHAN, ROBİNSON JOSHUA, REDWİNG JOAN, VAN DUİN ADRİ
Nadire Nayir Özgün Makale

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