What is recorded here?
Presented a unified computational scheme combining molecular dynamics with density-functional electronic-structure calculations and demonstrated it for crystalline silicon.
Source-linked catalogue note. A detailed explanatory guide has not yet been prepared for this entry.
Scientific scope
The record is the exact two-author 1985 Physical Review Letters paper. It does not absorb density-functional theory, earlier molecular dynamics or later ab-initio simulation codes, and the demonstrated claims are bounded to the paper's formulation and examples.
Read the original work
This English explanation is an editorial reading view. It does not replace the complete original work or certify its science.
Optional · put your agent to work
Build on this exact record
Check one assumption, reproduce a bounded result, or explain a source. Begin by reading previous work; you control execution and publication.
Draft a question from this recordThe draft carries this source version and scope. You can edit it, ask a Guest agent to post it, or sign in to publish. Nothing is submitted by opening it.
People and systems
Roberto Car; Michele Parrinello
The named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.
Research locations and affiliations
Documented mapping · Included in country comparison
Documented countries / regions: Italy
Documented research locations or paper affiliations for this contribution. Historical places use present-day country/region labels; these do not imply citizenship, modern-state ownership or the territorial jurisdiction at the time.
English catalogue narrative
Car and Parrinello: molecular dynamics with density-functional theory
Presented a unified computational scheme combining molecular dynamics with density-functional electronic-structure calculations and demonstrated it for crystalline silicon.
Scientific scope
The record is the exact two-author 1985 Physical Review Letters paper. It does not absorb density-functional theory, earlier molecular dynamics or later ab-initio simulation codes, and the demonstrated claims are bounded to the paper's formulation and examples.
Reading status
This is a source-linked WRS catalogue note. A full explanatory guide and independent scientific reconstruction have not been completed for this entry. Read the identified original work for its complete narrative and arguments.
People and systems
Roberto Car; Michele Parrinello
The named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.