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Computational Materials Science Center National Institute For Materials Science | 論文
- Computation of Interfacial Thermal Resistance by Phonon Diffuse Mismatch Model
- Measurement of Interfacial Thermal Resistance by Periodic Heating and a Thermo-Reflectance Technique
- Phase-Field Simulation of Phase Transformation in Fe-Cu-Mn-Ni Quaternary Alloy
- The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001) from Linear-Scaling DFT Calculations(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- Short-range electron correlations of CO2 molecule by first principles T-matrix calculations (Special issue on ACCMS working group meeting on clusters and nanomaterials)
- Instability of Dianions of Alkali-Metal Clusters
- SiOCH Films with Hydrocarbon Network Bonds : First-Principles Investigation
- Hydrocarbon Groups and Film Properties of SiOCH Dielectrics : Theoretical Investigations using Molecular Models
- Molecular Dynamics Simulation of Hydrogen-Induced Amorphization: Softening Effect by Incorporation of Hydrogen
- FCC-BCC Phase Transition in Iron under a Periodic Boundary Condition
- First-Principles Calculation Software for Dielectric Response Study of High-k Materials
- 合金設計と計算科学
- End-Group Dependence of Transport Properties for Biphenyl-Based Molecular Junction System
- Electronic structure of Bi_2CuO_4 with antiferromagnetic spin ordering
- Electronic Structure of InTaO_4 with Monoclinic Structure
- First-Principles Energy Band Calculation for ZnSb_2O_6 with Trirutile-Type Structure
- Numerical Study on Vortex States in Three Dimensions with Point Pins : Effect of a Single Twin Plane
- 2P-030 Structural modelling of human Aryl hydrocarbon receptor and QM/MM study of its interaction with dioxins(The 46th Annual Meeting of the Biophysical Society of Japan)
- Dielectric,Elastic and Thermal Properties on a New Phase Transition in (CH_3NH_3)NaSeO_4・6H_2O
- Acoustic Phonon Softening and Spontaneous Strains in KD_3(SeO_3)_2