S. Er

Zhang, Q., Khetan, A., & Er, S. (2021). A Quantitative Evaluation of Computational Methods to Accelerate the Study of Alloxazine-Derived Electroactive Compounds for Energy Storage. Scientific Reports, 11, 4089. https://doi.org/10.1038/s41598-021-83605-2 (Original work published 2021)

Sorkun, M. C., Koelman, J. M. V. A., & Er, S. (2021). Pushing the limits of solubility prediction via quality-oriented data selection. IScience, 24(1), 101961. https://doi.org/10.1016/j.isci.2020.101961

Anderson, C., Armiento, R., Blokhin, E., Conduit, G., Dwaraknath, S., Evans, M., … Yang, X. . Y. (2021). OPTIMADE, an API for exchanging materials data. Nature Scientific Data, 8, 217. https://doi.org/10.1038/s41597-021-00974-z (Original work published 2021)

Tezsevin, I., van de Sanden, M. C. M., & Er, S. (2020). Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes. Journal of Energy Chemistry, 50, 307-313. https://doi.org/10.1016/j.jechem.2020.03.080 (Original work published 2020)

Sorkun, M. C., Astruc, S., Koelman, J. M. V. A., & Er, S. (2020). An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery. NPJ Computational Materials, 6(1), 106. https://doi.org/10.1038/s41524-020-00375-7 (Original work published 2020)

Zhang, Q., Khetan, A., & Er, S. (2020). Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage. Scientific Reports, 10, 22149. https://doi.org/10.1038/s41598-020-79153-w (Original work published 2020)

Liu, Z., Liu, S., & Er, S. (2019). Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study. International Journal of Hydrogen Energy, 44(31), 16803-16810. https://doi.org/10.1016/j.ijhydene.2019.04.234 (Original work published 2019)

Sorkun, M. C., Khetan, A., & Er, S. (2019). AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds. Nature Scientific Data, 6, 143. https://doi.org/10.1038/s41597-019-0151-1 (Original work published 2019)

Fuchsel, G., Cao, K., Er, S., Smeets, E. W. F., Kleyn, A. W., Juurlink, L. B. F., & Kroes, G. J. (2018). Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D-2 on Cu(211). Journal of Physical Chemistry Letters, 9(1), 170-175. https://doi.org/10.1021/acs.jpclett.7b03097 (Original work published 2018)

Bu, Y., Er, S., Niemantsverdriet, J. W. H., & Fredriksson, H. O. A. (2018). Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV–Vis and mass spectrometry and DFT. Journal of Catalysis, 357, 176-187. https://doi.org/10.1016/j.jcat.2017.11.014 (Original work published 2018)