13 citations · 14 across the 2 of their papers we have counts for
4 papers
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…
Efficient and Scalable Calculation of Complex Band Structure using Sakurai-Sugiura Method
Shigeru Iwase, Yasunori Futamura, Akira Imakura +2
Complex band structures (CBSs) are useful to characterize the static and dynamical electronic properties of materials. Despite the intensive developments, the first-principles calc…
Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations
Shigeru Iwase, Yasunori Futamura, Akira Imakura +3
We propose an efficient computational method for evaluating the self-energy matrices of electrodes to study ballistic electron transport properties in nanoscale systems. To reduce…
Intrinsic origin of electron scattering at 4H-SiC(0001)/SiO
Shigeru Iwase, Christopher James Kirkham, Tomoya Ono
We introduce a first-principles study to clarify the carrier-scattering property at the SiC/SiO. Interestingly, the electron transport at the conduction-band edge is significan…