30 citations · 30 across the 3 of their papers we have counts for
4 papers
Journal Research Data Policies in Materials Science
Lukas Hörmann, Hemanadhan Myneni, Rwayda Kh. S. Al-Hamd +17
Open and reproducible research in materials science relies on the availability of data, code, and common metadata standards. Journal research data policies (RDPs) remain a primary…
Surface segregation in high-entropy alloys from alchemical machine learning
Arslan Mazitov, Maximilian A. Springer, Nataliya Lopanitsyna +3
High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, th…
Modeling high-entropy transition-metal alloys with alchemical compression
Nataliya Lopanitsyna, Guillaume Fraux, Maximilian A. Springer +2
Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mec…
Finite-temperature materials modeling from the quantum nuclei to the hot electrons regime
Nataliya Lopanitsyna, Chiheb Ben Mahmoud, Michele Ceriotti
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtai…