Ioan-Bogdan Magdău

A novel series of isoreticular metal organic frameworks: realizing metastable structures by liquid phase epitaxy

Jinxuan Liu, Binit Lukose, Osama Shekhah et al. · Scientific Reports · 2012 · 219 citations · Full text

MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules

Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning et al. · Journal of the American Chemical Society · 2025 · 106 citations · Full text

Engineering, Machine Learning, Molecular Biology +18

Dihexyl-Substituted Poly(3,4-Propylenedioxythiophene) as a Dual Ionic and Electronic Conductive Cathode Binder for Lithium-Ion Batteries

Pratyusha Das, Billal Zayat, Qiulong Wei et al. · Chemistry of Materials · 2020 · 74 citations

Engineering, Polymer Binders, Chemistry +22

Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics

Ioan-Bogdan Magdău, Graeme J. Ackland · Physical Review B · 2013 · 72 citations · Full text

Raman Spectra, Engineering, Computational Chemistry +18

A foundation model for atomistic materials chemistry

Ilyes Batatia, Philipp Benner, Yuan Chiang et al. · The Journal of Chemical Physics · 2025 · 61 citations · Full text