28 citations · 116 across the 12 of their papers we have counts for
3 papers · 1 filter
Application of canonical augmentation to the atomic substitution problem
Genki I. Prayogo, Andrea Tirelli, Keishu Utimula +3
A common approach for studying a solid solution or disordered system within a periodic ab-initio framework is to create a supercell in which a certain amount of target elements is…
Intrinsic Electronic Defect States of Anatase using Density Functional Theory
Abhishek Raghav, Adie Tri Hanindriyo, Keishu Utimula +3
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aid…
search of polymer crystals with high thermal conductivity
Keishu Utimula, Tom Ichibha, Ryo Maezono +1
Lattice thermal conductivities (LTC) for a subset of polymer crystals from the Polymer Genome Library were investigated to explore high LTC polymer systems. We employed a first-pri…