FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
Journal of Chemical Theory and Computation, Vol. 17, Ocak 2021, ISSN: 1549-9618","1549-9626
DEMİR SAMET, TEKİN ADEM
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First principles crystal structure prediction for dual cation ammine metal borohydrides
EMN Meeting on Computation and Theory Energy Materials Nanotechnology, 10 Ekim 2016
DEMİR SAMET,TEKİN ADEM
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Crystal Structure Prediction for Covalent and Molecular Crystals
NANOTR15, 3 Eylül 2019
DEMİR SAMET,TEKİN ADEM
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First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs
Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
CAPUTO RİCCARDA, DEMİR SAMET, TEKİN ADEM
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PyCASPESA: A new method for crystal structure prediction
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2017
GÖZDE İNİŞ
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Machine learning assisted massively parallel crystal structure prediction
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2023
SAMET DEMİR
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Crystal structure prediction and ammonia dynamics in calcium ammine
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2017
SENCER BÜYÜKYEĞEN
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Development of a novel evolutionary algorithm specialized for crystal structure prediction of molecular systems: MCaSP-Evo
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2019
DENİZHAN TUTAR
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Crystal structure prediction and ammonia dynamics in strontium ammine complex
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2016
MEHMET ÇANKAYA
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Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study
American Chemical Society (ACS), Vol. 127, Eylül 2023, ISSN: 1932-7447
DEMİR SAMET, TORKASHVAND MOSTAFA, JOUYBAR SHİRZAD, NİKFARJAM ZAHRA, ZARGARİ FARSHİD, TAFRESHİ SAEEDEH SARABADANİ, TEKİN ADEM
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Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2
The Journal of Physical Chemistry C, Vol. 125, Ocak 2021, ISSN: 1932-7447","1932-7455
İNİŞ GÖZDE, CAPUTO RİCCARDA, DEMİR SAMET, TEKİN ADEM
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Phase Prediction via Crystal Structure Similarity in the Periodic Number Representation
Inorganic Chemistry, Vol. 63, Ekim 2024, ISSN: 0020-1669
ORAN CEM,CAPUTO RİCCARDA,VİLLARS PİERRE,ÖZCÜ HASAN BİLAL,CANBAZ FERAYE HATİCE,TEKİN ADEM
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Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations An insight into the structure of Mg BH4 2
Phys. Chem. Chem. Phys., Vol. 15, Ocak 2013, s. 1471
RİCCARDA CAPUTO,ARKADİUSZ KUPCZAK,WİESLAWA SİKORA,TEKİN ADEM
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Ab initio crystal structure prediction A case study NaBH4
J. Solid State. Chem., Vol. 184, Mayıs 2011, s. 1622
RİCCARDA CAPUTO,TEKİN ADEM
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First-principles Crystal Structure Prediction:
A method development
and its application to hydrogen storage materials
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2014
ENGİN AYBEY
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