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Anders M N Niklasson

5PUBLICATIONS
24CO-AUTHORS
Theoretical quantum chemistryComputational chemistryAerodynamics (excl. hypersonic aerodynamics)Statistical mechanics in chemistry
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Journal

Publications (5)

Sort by Publication Date:
|Feb 09, 2021
Extended Lagrangian Born-Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration models.

Anders M N Niklasson

|Apr 04, 2020
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.

B Hourahine, B Aradi, V Blum

|Mar 16, 2020
Extended Lagrangian Born-Oppenheimer molecular dynamics using a Krylov subspace approximation.

Anders M N Niklasson

|Aug 10, 2017
Next generation extended Lagrangian first principles molecular dynamics.

Anders M N Niklasson

|Apr 08, 2017
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.

Valerio Vitale, Jacek Dziedzic, Alex Albaugh

Pageof 1

Frequent Collaborators

1 joint publications

B Hourahine

1 joint publications

B Aradi

1 joint publications

V Blum

1 joint publications

F Bonafé

1 joint publications

A Buccheri

1 joint publications

C Camacho

1 joint publications

C Cevallos

1 joint publications

T Dumitrică

1 joint publications

S Ehlert

1 joint publications

J Hermann

Frequent Collaborators

1 joint publications

B Hourahine

1 joint publications

B Aradi

1 joint publications

V Blum

1 joint publications

F Bonafé

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