アプリ記事 | Page 2 | MateriApps – A Portal Site of Materials Science Simulation – English

Development of First-principles Codes for Evaluation of Physical Properties Through Local Berry Phases

Naoya YAMAGUCHI

ISSP Activity Report 2023, p. 153…Read More

Analysis of ab initio Hamiltonians for molecular solid (TMTTF)2PF6 under pressure

Takahiro Misawa

ISSP Activity Report 2023, p. 217…Read More

Study on Johari-Goldstein relaxation mode in glass-forming liquids

Takeaki ARAKI and Makina SAITO

ISSP Activity Report 2023, p. 347…Read More

Molecular Dynamics of Stretched Polymer Chains

Koichi MAYUMI, Kosuke AOMURA

ISSP Activity Report 2023, p. 347…Read More

Physical origin of forming ferroelectric nematic phase

Matheus DE MELLO and Takeaki ARAKI

ISSP Activity Report 2023, p. 277…Read More

Theoretical Study for Mixed-sequence Oligomer Salt Modeling Doped PEDOT Family

Tomoko FUJINO

ISSP Activity Report 2023, p. 237…Read More

Two-dimensional structures for non-layered materials

Shota ONO

ISSP Activity Report 2023, p. 128…Read More

Density functional theory calculations of H2O adsorption monolayer on a Pt(111) surface

Jun HARUYAMA and Osamu SUGINO

ISSP Activity Report 2023, p. 15-22…Read More

Many-body quantum simulations based on multi-scale space-time ansatz

Hiroshi SHINAOKA

ISSP Activity Report 2023, p. 241-242…Read More

Surface Bain distortion

Shota ONO

ISSP Activity Report 2023, p. 129…Read More