Session information

Symposium

A. Advances in Materials Theory for Multiscale Modeling

[SY-A2] Symposium A-2

Mon. Oct 29, 2018 3:45 PM - 5:30 PM Room6

Chair: Kenjiro Sugio(Hiroshima Univ., Japan)

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[SY-A2] Bridging the chasm between phenomenological theories and electronic structure

Invited

^○Anton Van der Ven (University of California Santa Barbara, United States of America)

[SY-A2] Two-component Dirac-Kohn-Sham calculation for multiscale modeling of materials

^○Koichi Nakamura^1,2 (1.Kyoto Univ., Japan, 2.E-JUST, Egypt)

[SY-A2] Combination of Kinetic Monte Carlo Method and First Principles Calculation to Explore Stable Structure of Solute Cluster in Al-Si Based Alloys

^○Kenjiro Sugio, Hiroshi Mito, Yongbum Choi, Gen Sasaki (Hiroshima Univ., Japan)

[SY-A2] Electronic structure analysis of Fermi level instability in Fe-rich Si alloy

^○Chen Ying¹, Arkapol Saengdeejing¹, Tetsuo Mohri² (1.School of Engineering, Tohoku University, Japan, 2.Institute for Materials Research, Tohoku University, Japan)

[SY-A2] From first-principles defect chemistry to device damage models of radiation effects in III-V semiconductors

^○Peter A Schultz, Harold P Hjalmarson (Sandia National Laboratories, United States of America)

[SY-A2] How to model ordering processes in metallic hydrides? A Tight-Binding Ising modeling proposal and its application to Zr-H

Paul Eymeoud¹, ^○Fabienne Ribeiro¹, Remy Besson³, Guy Tréglia² (1.Institut de Radioprotection et de Sûreté Nucléaire/PSN-RES/SEMIA/LPTM, France, 2.Centre Interdisciplinaire de Nanoscience de Marseille, CNRS, France, 3.Unité Matériaux Et Transformations (UMET), CNRS UMR 8207, Université de Lille, 59655 Villeneuve D'Ascq, France)

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