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cond-mat.soft2025
Functional renormalization group for classical liquids without recourse to hard-core reference systems: A study of three-dimensional Lennard-Jones liquids
Takeru Yokota, Jun Haruyama, Osamu Sugino
In our previous work [Phys. Rev. E 104, 014124 (2021)], we developed a method for analyzing classical liquids using the functional renormalization group (FRG) without relying on a…
physics.chem-ph2025★ 1 cited
Benchmarking of Oxygen Adsorption using TPD Spectroscopy for Accurate DFT Prediction of ORR on Anatase Titanium Dioxide (101)
Shibghatullah Muhammady, Jun Haruyama, Shusuke Kasamatsu +1
Despite the wide use of first-principles calculations to elucidate catalytic reaction mechanisms, the reliability of the theory remains unknown for reactions that initiate with O$_…