Jelle Wieme

i-PI 2.0: A universal force engine for advanced molecular simulations

Venkat Kapil, Mariana Rossi, Ondřej Maršálek et al. · Computer Physics Communications · 2018 · 370 citations · Full text

Engineering, Physics, Natural Sciences +12

Structure-Mechanical Stability Relations of Metal-Organic Frameworks via Machine Learning

Peyman Z. Moghadam, Sven M. J. Rogge, Aurelia Li et al. · Matter · 2019 · 273 citations · Full text

Materials Science, Engineering, Machine Learning +5

Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals

Louis Vanduyfhuys, Sven M. J. Rogge, Jelle Wieme et al. · Nature Communications · 2018 · 134 citations · Full text

Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks

Jelle Wieme, Kurt Lejaeghere, Georg Kresse et al. · Nature Communications · 2018 · 125 citations · Full text

Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion

Sven M. J. Rogge, Jelle Wieme, Louis Vanduyfhuys et al. · Chemistry of Materials · 2016 · 117 citations · Full text

Materials Science, Crystal Structure, Molecular Solid +15