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Issue Date	Title	Author(s)
2022	Li5Sn, the most lithium-rich binary stannide : a combined experimental and computational study	Stelzer, Robert U.; Ikeda, Yuji; Srinivasan, Prashanth; Lehmann, Tanja S.; Grabowski, Blazej; Niewa, Rainer
2021	Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials	Gubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, Fritz
2022	Recent advances in understanding diffusion in muti-principal element systems	Dash, Anuj; Paul, Aloke; Sen, Sandipan; Divinski, Sergiy; Kundin, Julia; Steinbach, Ingo; Grabowski, Blazej; Zhang, Xi
2022	Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentials	Zhou, Ying; Srinivasan, Prashanth; Körmann, Fritz; Grabowski, Blazej; Smith, Roger; Goddard, Pooja; Duff, Andrew Ian
2022	Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping	Dsouza, Raynol; Huber, Liam; Grabowski, Blazej; Neugebauer, Jörg
2022	High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experiments	Abbas, Mohammadi; Ikeda, Yuji; Edalati, Parisa; Mito, Masaki; Grabowski, Blazej; Edalati, Kaveh
2022	Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics study	Zotov, Nikolay; Grabowski, Blazej
2016	Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics	Alling, Björn; Körmann, Fritz; Grabowski, Blazej; Glensk, Albert; Abrikosov, Igor A.; Neugebauer, Jörg
2018	Migration mechanisms of a faceted grain boundary	Hadian, Raheleh; Grabowski, Blazej; Finnis, Michael W.; Neugebauer, Jörg
2019	Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab Initio	Glensk, Albert; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg; Neuhaus, Jürgen; Hradil, Klaudia; Petry, Winfried; Leitner, Michael