Graph-based linear scaling electronic structure theory.

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Next generation extended Lagrangian first principles molecular dynamics.

P2860

Q47733543-F83FC7CC-4172-45B9-AC8C-41603EA874F4

P2860

Graph-based linear scaling electronic structure theory.

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http://www.wikidata.org/entity/Q53033892

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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2016年學術文章

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name

Graph-based linear scaling electronic structure theory.

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Graph-based linear scaling electronic structure theory.

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type

Item

label

Graph-based linear scaling electronic structure theory.

@en

Graph-based linear scaling electronic structure theory.

@nl

prefLabel

Graph-based linear scaling electronic structure theory.

@en

Graph-based linear scaling electronic structure theory.

@nl

P1476

Graph-based linear scaling electronic structure theory

@en

P2093

Anders M N Niklasson

http://www.w3.org/2001/XMLSchema#string

Christian F A Negre

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Emanuel H Rubensson

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Hristo Djidjev

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Nicolas Bock

http://www.w3.org/2001/XMLSchema#string

Pieter J Swart

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P2860

Inhomogeneous Electron Gas

Theory of the Insulating State

Self-Consistent Equations Including Exchange and Correlation Effects

Direct calculation of electron density in density-functional theory

Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

A Fast and High Quality Multilevel Scheme for Partitioning Irregular Graphs

A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations.

Lagrangian formulation with dissipation of Born-Oppenheimer molecular dynamics using the density-functional tight-binding method

Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics.

Semiempirical Molecular Dynamics (SEMD) I: Midpoint-Based Parallel Sparse Matrix-Matrix Multiplication Algorithm for Matrices with Decay.

P304

234101

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1063/1.4952650

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

144

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P50

P577

2016-06-01T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

27334148

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P818

1603.00937

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Graph-based linear scaling electronic structure theory.

about

P2860

P2860

Graph-based linear scaling electronic structure theory.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P818

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P818