Publications

2021

I. Tezsevin; M.C.M. van de Sanden; S. Er , High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes , J. Phys. Chem. Lett. 12 (2021) 4160-4165 , DOI
Z.Y. Liu; T. Hussain; A. Karton; S. Er , Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization , Appl. Surf. Sci. 556 (2021) 149709 , OA , DOI
Q. Zhang; A. Khetan; S. Er , A Quantitative Evaluation of Computational Methods to Accelerate the Study of Alloxazine-Derived Electroactive Compounds for Energy Storage , Sci. Rep. 11 (2021) 4089 , OA , DOI
M.C. Sorkun; J.M.V.A. Koelman; S. Er , Pushing the limits of solubility prediction via quality-oriented data selection , iScience 24 (2021) 101961 , OA , DOI

2020

Q. Zhang; A. Khetan; S. Er , Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage , Sci. Rep. 10 (2020) 22149 , OA , DOI
M.C. Sorkun; S. Astruc; J.M.V.A. Koelman; S. Er , An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery , NPJ Comput. Mater. 6 (2020) 106 , OA , DOI
I. Tezsevin; M.C.M. van de Sanden; S. Er , Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes , J. Energy Chem. 50 (2020) 307-313 , OA , DOI
M.C. Sorkun; O.D. Incel; C. Paoli , Time series forecasting on multi-variate solar radiation data using deep learning (LSTM) , Turk. J. Elec. Eng. & Comp. Sci. 28 (2020) 211-223 , OA , DOI
A. Caglar; D. Duzenli; I. Onal; I. Tezsevin; D. Sahin; H. Kivrak , A comparative experimental and density functional study of glucose adsorption and electrooxidation on the Au-graphene and Pt-graphene electrodes , Int. J. Hydrogen Energy 45 (2020) 490-500 , DOI

2019

M.C. Sorkun; A. Khetan; S. Er , AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds , Nat. Sci. Data 6 (2019) 143 , OA , DOI

Pages