295 citations · 437 across the 15 of their papers we have counts for
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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$_…
physics.chem-ph2015★ 13 cited
Configuration Interaction with Antisymmetrized Geminal Powers
Wataru Uemura, Shusuke Kasamatsu, Osamu Sugino
To avoid the combinatorial computational cost of configuration interaction (CI), we have previously introduced the symmetric tensor decomposition CI (STD-CI) method, where we take…