Lv24
140 积分 2026-03-31 加入
Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals
28天前
已完结
High-pressure and high-temperature thermoelasticity of hcp osmium from ab initio quasiharmonic theory
1个月前
已完结
Investigating the synergistic evolution of H and He with irradiation defects in Fe by a new Fe-H-He ternary potential
1个月前
已完结
A perspective on magnetic field-enhanced electrocatalytic water splitting
1个月前
已完结
Ionic Liquids in Quasi-Solid-State Li–S Batteries with Sulfide-Based Solid Electrolytes: A Density Functional Theory and Ab Initio Molecular Dynamics Study
1个月前
已完结
Multi‐Domain versus Single‐Domain: A Magnetic Field is Not a Must for Promoting Spin‐Polarized Water Oxidation
2个月前
已完结
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