K
Koichiro Umemoto
Researcher at Tokyo Institute of Technology
Publications - 89
Citations - 3650
Koichiro Umemoto is an academic researcher from Tokyo Institute of Technology. The author has contributed to research in topics: Spin polarization & Phase (matter). The author has an hindex of 30, co-authored 85 publications receiving 3225 citations. Previous affiliations of Koichiro Umemoto include University of Minnesota & Stony Brook University.
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Phase transition in MgSiO 3 perovskite in the earth's lower mantle
TL;DR: In this paper, a new polymorph of MgSiO3 more stable than the Pbnm-perovskite phase has been identified by first-principles computations.
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Body-centered tetragonal C4: a viable sp3 carbon allotrope.
TL;DR: In this article, the electronic, vibrational and structural properties of bct C4, a new form of crystalline sp{3} carbon recently found in molecular dynamics simulations of carbon nanotubes under pressure, were investigated by first principles.
Journal ArticleDOI
Dissociation of MgSiO3 in the cores of gas giants and terrestrial exoplanets.
Koichiro Umemoto,Koichiro Umemoto,Renata M. Wentzcovitch,Renata M. Wentzcovitch,Philip B. Allen,Philip B. Allen +5 more
TL;DR: First-principles quasiharmonic free-energy computations show that this mineral should dissociate into CsCl-type MgO cotunnite-type SiO2 at pressures and temperatures expected to occur in the cores of the gas giants + and in terrestrial exoplanets.
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Elasticity of post‐perovskite MgSiO3
TL;DR: In this article, the athermal elastic constant tensor, single crystal and aggregated acoustic velocities, and anisotropy of the recently discovered post-perovskite MgSiO3 polymorph were determined by first principles.
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An adaptive genetic algorithm for crystal structure prediction.
Shunqing Wu,Shunqing Wu,Min Ji,Cai-Zhuang Wang,Manh Cuong Nguyen,Xin Zhao,Koichiro Umemoto,Koichiro Umemoto,Renata M. Wentzcovitch,Kai-Ming Ho +9 more
TL;DR: A genetic algorithm for structural search that combines the speed of structure exploration by classical potentials with the accuracy of density functional theory calculations in an adaptive and iterative way is presented, increasing the efficiency of the DFT-based GA by several orders of magnitude.