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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)

2022-07-18

5

OA

AI

Bálint Aradi *

Franco P. Bonafé

Alexander Buccheri

Cristopher Camacho

Caterina Cevallos

Megan Y. Deshaye

Traian Dumitrică

Adriel Domínguez

Sebastian Ehlert

Tammo van der Heide

Reinhard J. Maurer

Christian F. A. Negre

Thomas A. Niehaus

Anders M. N. Niklasson

Alister J. Page

Alessandro Pecchia

Gabriele Penazzi

Cristián G. Sánchez

Michael Sternberg

Alexandre Tkatchenko

Thomas Frauenheim

DOI：10.1063/5.0103026

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Abstract

En

Journal

Journal of Chemical Physics

IF:

3.1

Papers:

7.2W

Citations:

23.2W

Organization

B

beijing computational science research center (csrc)

Scholars:

859

Papers: 722

Citations: 2

U

Universite Claude Bernard Lyon 1

Scholars:

2.4W

Papers: 1.7W

Citations: 156

D

Duke University

Scholars:

6.3W

Papers: 5.7W

Citations: 6.5W

I

institute for basic science - korea (ibs)

Scholars:

6.7K

Papers: 5.2K

Citations: 13

U

Universidad Costa Rica

Scholars:

3.0K

Papers: 2.1K

Citations: 21

C

centre national de la recherche scientifique (cnrs)

Scholars:

24.5W

Papers: 18.2W

Citations: 279

K

karlsruhe institute of technology

Scholars:

2.0W

Papers: 1.4W

Citations: 23

U

university of bonn

Scholars:

3.3W

Papers: 2.6W

Citations: 29

W

western washington university

Scholars:

1.4K

Papers: 1.1K

Citations: 2

F

Free University of Berlin

Scholars:

3.8W

Papers: 3.2W

Citations: 51

U

university of strathclyde

Scholars:

1.1W

Papers: 1.1W

Citations: 12

U

University of Newcastle

Scholars:

1.5W

Papers: 1.5W

Citations: 16

H

Helmholtz Association

Scholars:

13.2W

Papers: 10.7W

Citations: 145

U

united states department of energy (doe)

Scholars:

11.3W

Papers: 9.6W

Citations: 246

U

University of Bremen

Scholars:

8.1K

Papers: 7.2K

Citations: 1.1W

L

Los Alamos National Laboratory

Scholars:

9.6K

Papers: 6.7K

Citations: 1.9W

M

Max Planck Society

Scholars:

8.2W

Papers: 7.7W

Citations: 3.3W

U

University of Bristol

Scholars:

3.1W

Papers: 3.0W

Citations: 5.3W

C

consiglio nazionale delle ricerche (cnr)

Scholars:

6.2W

Papers: 5.7W

Citations: 48

O

oak ridge national laboratory

Scholars:

1.4W

Papers: 1.0W

Citations: 20

U

university of regensburg

Scholars:

1.6W

Papers: 1.2W

Citations: 11

U

University of Warwick

Scholars:

2.2W

Papers: 2.2W

Citations: 85

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