22 citations · 59 across the 16 of their papers we have counts for
3 papers · 1 filter
Fine-tuning universal machine learning potentials for transition state search in surface catalysis
Raffaele Cheula, Mie Andersen, John R. Kitchin
Determining transition states (TSs) of surface reactions is central to understanding and designing heterogeneous catalysts but remains computationally prohibitive with density func…
Computational Design of Ductile Additively Manufactured Tungsten-Based Refractory Alloys
Kareem Abdelmaqsoud, Daniel Sinclair, Venkata Satya Surya Amaranth Karra +4
Tungsten exhibits exceptional temperature and radiation resistance, making it well-suited for applications in extreme environments such as nuclear fusion reactors. Additive manufac…
Electronic structure and elasticity of the Ta-W solid solution
Kareem Abdelmaqsoud, John R. Kitchin, Michael Widom
The brittleness or ductility of metals has long been attributed to their elastic constants, with high Poisson ratio, or equivalently high Pugh ratio, favoring greater ductility. Gr…