会议专题

Third Conference of the Asian Consortium for Computational Materials Science(第三届亚洲计算材料科学会议)

总文献量: 42篇会议类型: 国际会议会议地点: 北京主办单位: 中国科学院物理所清华大学会议日期: 2005-09-08

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On the PI index of some nanotubes

Ionic transport properties in doped δ-Bi2O3

Non-conventional tight-binding method for simulation of atomic clusters and solids

Implementing and evaluating a fictitious electron dynamics method for the calculation of electronic structure: Application to the Si(100) surface

Point defects and mechanical behavior of titanium alloys and intermetallic compounds

Application of a mathematical problem to the symmetry of fullerene C60

Simulation for microstructure evolution of Al-Si alloys in solidification process

First-principles Greens Function Study on Electronic Excited States of Molecules

Electronic structure of the ferromagnetic double-perovskites Sr2CrReO6, Sr2CrWO6,and Ba2FeReO6

Computing the PI index of some chemical graphs related to nanostructures

Stress reduction behavior in metal-incorporated amorphous carbon films: first-principles approach

The Formation Energies and Binding Energies of Helium Vacancy Cluster: Comparative Study in Ni and Pd

Density functional calculation of work function using charged slab systems

Coherent transport and Andreev reflection in ferromagnetic semiconductor/superconductor/ferromagnetic semiconductor double tunelling junctions

Monte Carlo simulation of melting transition on DNA nanocompartment

Thermodynamic properties of hydrate phases immersed in ice phase

The role of the electrodes in a molecular conductor: an eigenchannel analysis

New nonlinear optical materials based on ferrofluids

Postperovskite phase transition of MgSiO3

Properties of VAs/GaAs interface from first principles study