2 papers
cond-mat.mtrl-sci2026
Search for high-pressure phases of yttrium via a data assimilation approach
Yuuki Kubo, Takahiro Ishikawa, Yuta Tanaka +3
We investigate the distorted face-centered-cubic (dfcc) phase of yttrium (Y) using a data-assimilation-based structure search that combines high-resolution powder x-ray diffraction…
physics.chem-ph2026
Matlantis-PFP v8: Universal Machine Learning Interatomic Potential with Better Experimental Agreements via r2SCAN Functional
Chikashi Shinagawa, So Takamoto, Daiki Shintani +7
Universal Machine Learning Interatomic Potentials (uMLIPs) enable atomistic simulations and high-throughput screening at scales far beyond those accessible with density functional…