3 papers
cond-mat.soft2026
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
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$_…
cond-mat.supr-con2025
Exploring functionalized ZrN and ScN MXenes as superconducting candidates with calculations
Alpin N. Tatan, Osamu Sugino
We study new superconductor candidates in functionalized MXenes ZrNS, ZrNCl, and ScNCl with calculations based on density functional th…