アプリ記事 | Page 6 | MateriApps – A Portal Site of Materials Science Simulation – English

Development and applications of first principles method for light-matter interactions beyond the dipole approximation

Takeshi IWASA

ISSP Activity Report 2020, p. 111…Read More

Ab initio analysis on the stability of magnetic ternary alloys

Yasutomi TATETSU

ISSP Activity Report 2020, p. 81…Read More

First-principles Calculation of Electric Field Effects in Spin-to-charge Conversion Materials

Naoya YAMAGUCHI

ISSP Activity Report 2020, p. 150…Read More

Study on structural elementary excitations at semiconductor surfaces and interfaces

Hiroyuki KAGESHIMA

ISSP Activity Report 2020, p. 166…Read More

Electrochemical reaction analysis using density functional calculation + implicit solvation model 2

Jun HARUYAMA

ISSP Activity Report 2020, p. 71-72…Read More

Noisy simulations of first-principles calculations using quantum classical hybrid algorithms

Wataru Mizukami

ISSP Activity Report 2020, p. 147-148…Read More

Systematic analysis of ab initio low-energy effective Hamiltonians for Pd(dmit)2 molecular conductors

Takahiro Misawa

ISSP Activity Report 2020, p. 189-190…Read More

First-principles study on complexes of impurity and dislocation in GaN p-n diodes

Yosuke HARASHIMA

ISSP Activity Report 2020, p. 170…Read More

Mechanisms of Semiconductor Interface Formation and its Electronic Properties based on Quantum Theory

Atsushi Oshiyama

ISSP Activity Report 2020, p. 49-51…Read More

First-principles study of molecule/metal interfaces

Ikutaro Hamada

ISSP Activity Report 2020, p. 122…Read More