26 citations · 26 across the 2 of their papers we have counts for
3 papers
Reweighting free energy profiles between universal machine learning interatomic potentials for fast consensus building
Sauradeep Majumdar, Miguel Steiner, Johannes C. B. Dietschreit +4
Free energy profiles serve as a fundamental bridge between microscopic atomic fluctuations and macroscopic thermodynamic observables. Estimating the free energy profile along a rea…
Learning a reactive potential for silica-water through uncertainty attribution
Swagata Roy, Johannes P. Dürholt, Thomas S. Asche +2
The reactivity of silicates in an aqueous solution is relevant to various chemistries ranging from silicate minerals in geology, to the C-S-H phase in cement, nanoporous zeolite ca…
Exploring the transfer of plasticity across Laves phase interfaces in a dual phase magnesium alloy
Julien Guénolé, Muhammad Zubair, Swagata Roy +4
The mechanical behaviour of Mg-Al alloys can be largely improved by the formation of an intermetallic Laves phase skeleton, in particular the creep strength. Recent nanomechanical…