Index Catalog // MDR

Start Over

Filtering by: Keyword Computational Materials Science Keyword Density Functional Theory Keyword First-principles calculations Rights Statement Sim In Copyright

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

Description/Abstract:

Large-scale calculation capable of handling material systems containing 100 to 1,000 times more atoms than conventional methods.

Keyword:

Computational Materials Science, Density Functional Theory, First-principles calculations, Linear-scaling method or O(N) method, and Molecular Dynamics Simulations

Resource Type:

Article

Author:

International Center for Materials Nanoarchitectonics (WPI-MANA)

Date Uploaded:

18/12/2022

Date Modified:

19/12/2022

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

Limit your search

Type of work

Collection

Keyword

Language

Resource type

Visibility

Rights Statement Sim

Author

Search Constraints

Search Results

Limit your search