Index Catalog // MDR

Skip to Content

Home
About
Help
Contact
Login

Search MDR

Search Constraints

Start Over

Filtering by: Keyword First-principles calculations Remove constraint Keyword: First-principles calculations

1 - 3 of 3

relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲

Number of results to display per page

10 per page
20 per page
50 per page
100 per page

View results as:

List Gallery Masonry Slideshow

Search Results

Select an image to start the slideshow

Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields

1 of 3

First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface

2 of 3

[Research Highlights Vol.21] Supercomputing in materials science: First-principles simulations of large molecules

3 of 3

Limit your search

Type of work

Publication3

Collection

Research Highlights1

Keyword

First-principles calculations[remove]3
Cathode1
Classical force fields1
Computational Materials Science1
Density Functional Theory1
more Keywords »

Language

English3

Publisher

Elsevier1
Elsevier BV1

Resource type

Article3

Visibility

open3

Rights Statement Sim

Creative Commons BY Attribution 4.0 International2
In Copyright1

Author

Atsuki Saito1
Atsushi Tanaka1
Ayako Nakata1
Hiroaki Kobayashi1
International Center for Materials Nanoarchitectonics (WPI-MANA)1
more Authors »

Funder

JASRI1
MEXT, Japan and JSPS Grant-in-Aid1

Journal

Journal of Non-Crystalline Solids1

National Institute for Materials Science

Research Network and Facility Services Division (RNFS)
Materials Data Platform

© 2020–2024 National Institute for Materials Science. Works are available under licenses specified on their pages.

Terms of Use
Privacy Policy
Data Platform DICE
NIMS Digital Library