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J. M. V. A. Koelman

First name
J.
Middle name
M. V. A.
Last name
Koelman
Onwudinanti, C., Pols, M., Brocks, G., Koelman, J. M. V. A., van Duin, A. C. T., Morgan, T. W., & Tao, S. (2022). A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium - the role of grain boundaries. Journal Of Physical Chemistry C, 126(13), 5950-5959. https://doi.org/10.1021/acs.jpcc.1c08776 (Original work published 2022)
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Sorkun, M. C., Mullaj, D., Koelman, J. M. V. A., & Er, S. (2022). ChemPlot, a Python Library for Chemical Space Visualization. Chemistry-Methods, 2(7), e202200005. https://doi.org/10.1002/cmtd.202200039
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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
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Onwudinanti, C., Brocks, G., Koelman, J. M. V. A., Morgan, T. W., & Tao, S. X. (2021). Tin deposition on ruthenium and its influence on blistering in multi-layer mirrors. Physical Chemistry Chemical Physics, 23(25), 13878-13884. https://doi.org/10.1039/d1cp01082d (Original work published 2021)
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Onwudinanti, C., Brocks, G., Koelman, J. M. V. A., Morgan, T. W., & Tao, S. X. (2020). Hydrogen diffusion out of ruthenium - an ab initio study of the role of adsorbates. Physical Chemistry Chemical Physics, 22(15), 7935-7941. https://doi.org/10.1039/d0cp00448k (Original work published 2020)
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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)
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Agarwal, U., Alpak, F. O., & Koelman, J. M. V. A. (2018). Permeability from 3D Porous Media Images: a Fast Two-Step Approach. Transport In Porous Media, 124(3), 1017-1033. https://doi.org/10.1007/s11242-018-1108-0
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