@article{article, author = {Caputo Riccarda, Villars Pierre, Oran Cem, TEKİN ADEM}, title = {Periodic table representation of binary, ternary and higher-order systems of inorganic compounds}, journal = {Elsevier BV}, year = 2024, month = 10, volume = 970 }

@article{article, author = {Oran Cem,Caputo Riccarda,Villars Pierre,Özcü Hasan Bilal,Canbaz Feraye Hatice,TEKİN ADEM}, title = {Phase Prediction via Crystal Structure Similarity in the Periodic Number Representation}, journal = {Inorganic Chemistry}, year = 2024, month = 10, volume = 63 }

@article{article, author = {TEKİN ADEM,Kalpar Merve,TEKİN EMİNE}, title = {Exploring the potential of Sn–Ge based hybrid organic–inorganic perovskites: A density functional theory based computational screening study}, journal = {The Journal of Chemical Physics}, year = 2024, month = 8, volume = 161 }

@article{article, author = {DEMİR SAMET,TEKİN ADEM,Chan Yu-Te,Scheurer Christoph,Reuter Karsten,Luntz Alan C.,Voss Johannes}, title = {Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11}, journal = {ACS Applied Energy Materials}, year = 2024, month = 3, volume = 7 }

@article{article, author = {Akcay Saliha Nur,Saylan Cemil Can,TEKİN ADEM,BADAY SEFER}, title = {Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam}, journal = {Journal of Molecular Modeling}, year = 2024, month = 1, volume = 30 }

@article{article, author = {Alidoust Somayyeh,Jamalinabijan Fatemeh,TEKİN ADEM}, title = {Light-Harvesting Lead-Free Mixed Cation Hybrid Halide Perovskites: A Density Functional Theory-Based Computational Screening Study}, journal = {ACS Applied Energy Materials}, year = 2024, month = 1, volume = 7 }

@article{article, author = {İNİŞ DEMİR GÖZDE, TEKİN ADEM}, title = {NICE-FF: A Non-empirical, Intermolecular, Consistent and Extensible Force Field for Nucleic Acids and Beyond}, journal = {JOURNAL OF CHEMICAL PHYSICS}, year = 2023, pages = {244117}, month = 12, volume = 159 }

@article{article, author = {BABALI BALIBEY FATMANUR, BAHADORI FATEMEH, ERGİN KIZILÇAY GAMZE, TEKİN ADEM, KANIMDAN EBRU, KOÇYİĞİT ABDÜRRAHİM}, title = {Optimization of PLGA-DSPE hybrid nano-micelles with enhanced hydrophobic capacity for curcumin delivery}, journal = {Pharmaceutical Development and Technology}, year = 2023, month = 10, volume = 28 }

@article{article, author = {DEMİR SAMET, Torkashvand Mostafa, Jouybar Shirzad, Nikfarjam Zahra, Zargari Farshid, Tafreshi Saeedeh Sarabadani, TEKİN ADEM}, title = {Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study}, journal = {American Chemical Society (ACS)}, year = 2023, month = 9, volume = 127 }

@article{article, author = {Solati Navid, Çankaya Mehmet, KAHRAMAN ABDULLAH, Şimşek Kaan, Titus Charles, Lee Sang, Nordlund Dennis, Ogasawara Hirohito, TEKİN ADEM, KAYA SARP}, title = {Pyridinic nitrogen induced compressed bilayer graphene for oxygen reduction reaction}, journal = {Elsevier BV}, year = 2023, month = 7, volume = 35 }

@article{article, author = {DEMİR SAMET, İNİŞ DEMİR GÖZDE, Çankaya Mehmet, TEKİN ADEM}, title = {Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines}, journal = {Royal Society of Chemistry (RSC)}, year = 2023, month = 1, volume = 25 }

@inproceedings{inproceedings, author = {Kalpar Merve, TEKİN ADEM}, title = {Machine Learning for Predicting Lead-Free Hybrid Double Perovskites}, year = 2022, month = 9 }

@article{article, author = {Karataş Deniz, TEKİN ADEM, Can Muhammed F., Xu Zhenghe, ÇELİK MEHMET SABRİ}, title = {Morphological analysis of organo-montmorillonites via MD simulations}, journal = {PHYSICOCHEMICAL PROBLEMS OF MINERAL PROCESSING}, year = 2022, month = 7 }

@article{article, author = {Haykır Gulcin, Aydemir Murat, TEKİN ADEM, Tekin Emine, Danos Andrew, Yüksel Fatma, HIZAL GÜRKAN, Monkman Andrew P., Türksoy Figen}, title = {Effects of donor position and multiple charge transfer pathways in asymmetric pyridyl-sulfonyl TADF emitters}, journal = {MATERIALS TODAY COMMUNICATIONS}, year = 2022, month = 6, volume = 31 }

@article{article, author = {Touia Amina, Benyahia Karima, Messaoudi I. S., TEKİN ADEM}, title = {Comparative Study of Structural, Electronic, Magnetic and Thermodynamic Properties of TbInZ2 (Z = Cu, Ag, and Au)}, journal = {ACTA PHYSICA POLONICA A}, year = 2022, month = 3, volume = 141 }

@article{article, author = {Caputo Riccarda, Oran Cem, TEKİN ADEM, Villars Pierre}, title = {Equiatomic binary phases of Copper‐Rare Earth Elements. An overview of monocuprides from first‐principles calculations}, journal = {ChemPhysChem}, year = 2022, month = 1 }

@article{article, author = {İNİŞ DEMİR GÖZDE, DEMİR SAMET, TEKİN ADEM}, title = {2D-FFCASP-A New Approach for 2D Structure Prediction Applied to Self-Assemblies of DNA Bases}, journal = {ADVANCED THEORY AND SIMULATIONS}, year = 2022, number = 10, pages = {14}, month = 1, volume = 5 }

@article{article, author = {Karataş Deniz, Bahadori Fatemeh, TEKİN ADEM, ERGİN KIZILÇAY GAMZE, ÇELİK MEHMET SABRİ}, title = {Enhancing the Kinetic Stability of Polymeric Nanomicelles (PLGA) Using Nano-Montmorillonite for Effective Targeting of Cancer Tumors}, journal = {American Chemical Society (ACS)}, year = 2022, month = 1, volume = 126 }

@article{article, author = {DEMİR SAMET, TEKİN ADEM}, title = {FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm}, journal = {Journal of Chemical Theory and Computation}, year = 2021, month = 1, volume = 17 }

@article{article, author = {İNİŞ GÖZDE, Caputo Riccarda, DEMİR SAMET, TEKİN ADEM}, title = {Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2}, journal = {The Journal of Physical Chemistry C}, year = 2021, month = 1, volume = 125 }

@article{article, author = {Touia Amina, Benyahia Karima, TEKİN ADEM}, title = {First-Principles Calculations of Structural, Electronic, Optical, and Thermoelectric Properties of LuNiBi and LuNiSb Half-Heusler}, journal = {Journal of Superconductivity and Novel Magnetism}, year = 2021, month = 1, volume = 34 }

@article{article, author = {Douady J, Simon A., Rapacioli M, Calvo Florent, YURTSEVER İSMAİL ERSİN, TEKİN ADEM}, title = {The structure of 1,3-butadiene clusters}, journal = {Theoretical Chemistry Accounts}, year = 2021, month = 1, volume = 140 }

@article{article, author = {Caputo Riccarda, DEMİR SAMET, TEKİN ADEM}, title = {First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs}, journal = {Journal of Physical Chemistry C}, year = 2020, month = 1, volume = 124 }

@article{article, author = {TEKİN ADEM}, title = {Towards the crystal structure of thymine: An intermolecular force field development and parallel global cluster optimizations}, journal = {JOURNAL OF CHEMICAL PHYSICS}, year = 2019, number = 24, pages = {244302}, month = 12, volume = 151 }

@inproceedings{inproceedings, author = {DEMİR SAMET,TEKİN ADEM}, title = {Crystal Structure Prediction for Covalent and Molecular Crystals}, year = 2019, month = 9 }

@article{article, author = {Benyahia Karima,TEKİN ADEM}, title = {title Distortion effect on optical properties of the fluorite and modified-fluorite structures of RuO sub2/sub/title}, journal = {Materials Research Express}, year = 2019, number = 8, pages = {8651}, month = 8, volume = 6 }

@article{article, author = {Caputo Riccarda,TEKİN ADEM}, title = {Can lithium form phases with molybdenum?}, journal = {JOURNAL OF SOLID STATE CHEMISTRY}, year = 2019, pages = {230-238}, month = 3, volume = 271 }

@article{article, author = {Caputo Riccarda,TEKİN ADEM,Nesper Reinhard}, title = {title Topochemical Path in High Lithiation of MoS sub2/sub/title}, journal = {ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE}, year = 2018, month = 11 }

@article{article, author = {Karatosun Armağan,Çankaya Mehmet,TEKİN ADEM}, title = {Symmetry-adapted perturbation theory potential for the adenine dimer}, journal = {Physical Chemistry Chemical Physics}, year = 2018, number = 41, pages = {26303-26314}, month = 10, volume = 20 }

@article{article, author = {Calvo Florent,YURTSEVER İSMAİL ERSİN,TEKİN ADEM}, title = {title Physisorption of H sub2/sub on Fullerenes and the Solvation of C sub60/sub by Hydrogen Clusters at Finite Temperature: A Theoretical Assessment/title}, journal = {The Journal of Physical Chemistry A}, year = 2018, number = 10, pages = {2792-2800}, month = 2, volume = 122 }

@inproceedings{inproceedings, author = {Bayat Büşra,Ceylan Yasemin,TEKİN ADEM,YURTSEVER MİNE}, title = {p- and n-type doping of graphene and phosphorene with organic molecules}, year = 2017, month = 10 }

@article{article, author = {,Manukyan ArtürTEKİN ADEM}, title = {The intermolecular dimer potential for guanine}, journal = {The Journal of Chemical Physics}, year = 2017, number = 15, pages = {154311}, month = 10, volume = 147 }

@inproceedings{inproceedings, author = {AKGENÇ BERNA,TEKİN ADEM}, title = {Theoretical insights on mechanism for oxygen reduction reaction at S-N dual-doped graphene}, year = 2017, month = 9 }

@inproceedings{inproceedings, author = {Ponz Victor,TEKİN ADEM,Grey Alan,Emerson Andrew,Sunderland Andrew,Proeme Arno,Moulinec Charles,Dellis Dimitris,Finkenrath Jacob,Strassburg Janko,Rodriguez Jorge,Lohivuori Martti,Codreanu Valeriu}, title = {PRACE European Benchmark Suite: Application Performances on Accelerators}, year = 2017, month = 6 }

@article{article, author = {Karataş Deniz,TEKİN ADEM,ÇELİK MEHMET SABRİ}, title = {Density functional theory computation of organic compound penetration into sepiolite tunnels}, journal = {Clays and Clay Minerals}, year = 2017, number = 1, pages = {1-13}, month = 2, volume = 65 }

@article{article, author = {Karataş Deniz,TEKİN ADEM,Bahadori Fatemeh,ÇELİK MEHMET SABRİ}, title = {Interaction of curcumin in a drug delivery system including a composite with poly(lactic-co-glycolic acid) and montmorillonite: a density functional theory and molecular dynamics study}, journal = {J. Mater. Chem. B}, year = 2017, number = 40, pages = {8070-8082}, month = 1, volume = 5 }

@inproceedings{inproceedings, author = {DEMİR SAMET,TEKİN ADEM}, title = {First principles crystal structure prediction for dual cation ammine metal borohydrides}, year = 2016, month = 10 }

@inproceedings{inproceedings, author = {TEKİN ADEM}, title = {Computational screening of hydrogen storage materials with density functional theory}, year = 2016, month = 10 }

@inproceedings{inproceedings, author = {Çankaya Mehmet,TEKİN ADEM}, title = {An intermolecular potential function for adenine dimer}, year = 2016, month = 9 }

@inproceedings{inproceedings, author = {Karatosun Armağan,TEKİN ADEM}, title = {The thymine dimer potential from a combined density functional theory and symmetry adapted perturbation theory}, year = 2016, month = 9 }

@article{article, author = {Emdadi Arash,DEMİR SAMET,Kışlak Yusuf,TEKİN ADEM}, title = {Computational Screening of Dual Cation Metal Ammine Borohydrides by Density Functional Theory}, journal = {Journal of Physical Chemistry C}, year = 2016, month = 6 }

@inproceedings{inproceedings, author = {DEMİR SAMET,Yusuf Kışlak,Arash Emdadi,TEKİN ADEM}, title = {Computational design of new dual cation ammine metal borohydride}, year = 2015, month = 10 }

@article{article, author = {Artür Manukyan,TEKİN ADEM}, title = {First principles potential for the cytosine dimer}, journal = {Phys. Chem. Chem. Phys.}, year = 2015, number = 22, pages = {14685-14701}, month = 4, volume = 17 }

@inproceedings{inproceedings, author = {Yusuf Kışlak,TEKİN ADEM}, title = {Computational Screening of Dual Cation Ammine Metal Borohydrides}, year = 2015, pages = {110}, month = 2 }

@inproceedings{inproceedings, author = {DEMİR SAMET,TEKİN ADEM}, title = {Computational discovery of new dual cation metal ammine borohydrides}, year = 2015, pages = {115}, month = 2 }

@article{article, author = {KOBAK RABİA ZEYNEP,Meral Arı,TEKİN ADEM,GÜL AHMET}, title = {Aggregation behavior in unsymmetrically substituted metal free phthalocyanines}, journal = {Chemical Physics}, year = 2015, pages = {91-97}, month = 2, volume = 448 }

@inproceedings{inproceedings, author = {Arash Emdadi,DEMİR SAMET,Yusuf Kışlak,TEKİN ADEM}, title = {Computational Screening of Dual Cation Metal Ammine Borohydrides}, year = 2014, month = 10 }

@inproceedings{inproceedings, author = {Yusuf Kışlak,TEKİN ADEM}, title = {Computational Design of Dual Cation Metal Ammine Borohydrides LiTi BH4 5 NH3 x}, year = 2014, month = 10 }

@inproceedings{inproceedings, author = {DEMİR SAMET,TEKİN ADEM}, title = {Discovery of new Dual Cation Metal Ammine Borohydrides A computational study}, year = 2014, month = 10 }

@article{article, author = {ÖZÇEŞMECİ İBRAHİM,TEKİN ADEM,GÜL AHMET}, title = {Synthesis and aggregation behavior of zinc phthalocyanines substituted with bulky naphthoxy and phenylazonaphthoxy groups An experimental and theoretical study}, journal = {Synthetic Metals}, year = 2014, pages = {100}, month = 2, volume = 189 }

@article{article, author = {TEKİN ADEM}, title = {Fundamental Open Questions on Engineering of “Super” Hydrogen Sorption in Graphite Nanofibers: Relevance for Clean Energy Applications}, journal = {American Journal of Analytical Chemistry}, year = 2014, month = 1, volume = 5 }

@article{article, author = {Deniz Karataş,TEKİN ADEM,ÇELİK MEHMET SABRİ}, title = {Adsorption of Quaternary Amine Surfactants and their Penetration into the Intracrystalline Cavities of Sepiolite}, journal = {New J. Chem.}, year = 2013, pages = {3936}, month = 8, volume = 37 }

@article{article, author = {Riccarda Caputo,Arkadiusz Kupczak,Wieslawa Sikora,TEKİN ADEM}, title = {Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations An insight into the structure of Mg BH4 2}, journal = {Phys. Chem. Chem. Phys.}, year = 2013, pages = {1471}, month = 1, volume = 15 }

@article{article, author = {Markus Boning,Benjamin Stuhlmann,Gernot Engler,Matthias Busker,Thomas Haber,TEKİN ADEM,Georg Jansen,Karl Kleinermanns}, title = {Towards a spectroscopical and theoretical identification of the isolated building blocks of the benzene acetylene cocrystal}, journal = {ChemPhysChem}, year = 2013, pages = {837}, month = 1, volume = 14 }

@article{article, author = {Riccarda Caputo,TEKİN ADEM}, title = {Lithium dihydroborate First principles structure prediction of LiBH2}, journal = {Inorg. Chem.}, year = 2012, pages = {9757}, month = 8, volume = 51 }

@article{article, author = {Berkay Sutay,TEKİN ADEM,YURTSEVER MİNE}, title = {Intermolecular interactions in nitrogen containing aramatic systems}, journal = {Theor. Chem. Acc.}, year = 2012, pages = {1120}, month = 2, volume = 131 }

@article{article, author = {Claude Leforestier,TEKİN ADEM,Georg Jansen,Michel Herman}, title = {First principles potential for the acetylene dimer and refinement by fitting to experiments}, journal = {J. Chem. Phys.}, year = 2011, pages = {234306}, month = 12, volume = 135 }

@article{article, author = {Andrew Churchard,Ewa Banach,Andreas Borgschulte,Riccarda Caputo,Jian Cheng Chen,David Clary,Karol Fijalkowski,Hans Geerlings,Radostina Genova,Wojciech Grochala,Tomasz Jaron,Juan Carlos JuanesMarcos,Bengt Kasemo,GeertJan Kroes,Ivan Ljubic,Nicola Naujoks,Jens Norskov,Roar Olsen,Flavio Pendolino,Arndt Remhof,Lornd Romnszki,TEKİN ADEM,Tejs Vegge,Michael Zach,Andreas Züttel}, title = {A multifaceted approach to hydrogen storage}, journal = {Phys. Chem. Chem. Phys.}, year = 2011, pages = {16955}, month = 8, volume = 13 }

@article{article, author = {Riccarda Caputo,TEKİN ADEM}, title = {Ab initio crystal structure prediction A case study NaBH4}, journal = {J. Solid State. Chem.}, year = 2011, pages = {1622}, month = 5, volume = 184 }

@article{article, author = {Daniel Boese,Harald Forbert,Marco Masia,TEKİN ADEM,Dominik Marx,Georg Jansen}, title = {Constructing simple yet accurate potentials for descibing the solvation of HCl Water clusters in bulk Helium and Nanodroplets}, journal = {Phys. Chem. Chem. Phys.}, year = 2011, pages = {14550}, month = 5, volume = 13 }

@article{article, author = {TEKİN ADEM,Riccarda Caputo,Andreas Züttel}, title = {First principles determination of the ground state structure of LiBH4}, journal = {Phys. Rev. Lett.}, year = 2010, pages = {215501}, month = 5, volume = 104 }

@article{article, author = {TEKİN ADEM,Jens Hummelshoj,Hjalte Jacobsen,Dadi Sveinbjörnsson,Didier Blanchard,Jens Norskov,Tejs Vegge}, title = {Ammonia dynamics in magnesium ammine from DFT and neutron scattering}, journal = {Energy Environ. Sci.}, year = 2010, pages = {448}, month = 3, volume = 3 }

@article{article, author = {Riccarda Caputo,TEKİN ADEM,Wieslawa Sikora,Andreas Züttel}, title = {First principles determination of the ground state structure of Mg BH4 2}, journal = {Chem. Phys. Lett.}, year = 2009, pages = {203}, month = 9, volume = 480 }

@article{article, author = {J. S. Hummelshøj, D. D. Landis, J. Voss, T. Jiang, A. Tekin, N. Bork, ...}, title = {Density functional theory based screening of ternary alkali transition metal borohydrides A computational material design project}, journal = {The Journal of Chemical Physics}, year = 2009, number = 1, pages = {14101}, month = 1, volume = 131 }

@article{article, author = {Elsa Sanchez,Artur Mardyukov,TEKİN ADEM,Rachel CrespoOtero,Luis Montero,Wolfram Sander,Georg Jansen}, title = {Ab initio and matrix isolation study of the acetylene furan dimer}, journal = {Chem. Phys.}, year = 2008, pages = {168}, month = 1, volume = 343 }

@article{article, author = {TEKİN ADEM,Georg Jansen}, title = {How accurate is the density functional theory combined with symmetry adapted perturbation theory approach for CH and interactions A comparison to supermolecular calculations for the acetylene benzene dimer}, journal = {Phys. Chem. Chem. Phys.}, year = 2007, pages = {1680}, month = 2, volume = 9 }

@article{article, author = {TEKİN ADEM,Bernd Hartke}, title = {Global geometry optimization of silicon clusters employing empirical potentials density functionals and ab initio calculations}, journal = {J. Theoretical and Computational Chemistry}, year = 2005, pages = {1119}, month = 7, volume = 4 }

@article{article, author = {TEKİN ADEM,Bernd Hartke}, title = {Global geometry optimization of small silicon clusters with empirical potentials and at the DFT level}, journal = {Phys. Chem. Chem. Phys.}, year = 2004, pages = {503}, month = 1, volume = 6 }

@article{article, author = {TEKİN ADEM,YURTSEVER MİNE,Yusuf Yagci}, title = {Structural effects in the addition fragmentation reaction of allylic onium salts}, journal = {Macromol. Theo. Simul.}, year = 2002, pages = {766}, month = 1, volume = 11 }

@article{article, author = {TEKİN ADEM,YURTSEVER MİNE}, title = {Molecular dynamics simulation of phase transitions in binary LJ clusters}, journal = {Turk. J. Chem.}, year = 2002, pages = {627}, month = 1, volume = 26 }