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-con2024
Magnetic phases of electron-doped infinite-layer SrLaCuO from first-principles density functional calculations
Alpin N. Tatan, Jun Haruyama, Osamu Sugino
The magnetic phases of electron-doped infinite-layer SrLaCuO are elucidated by first-principles density functional calculations. The antiferromagnetic parent state,…