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Tomáš Kubař

2PUBLICATIONS
24CO-AUTHORS
Computational chemistryTheoretical quantum chemistry
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Publications (2)

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

B Hourahine, B Aradi, V Blum

|Aug 24, 2018
Coupled-perturbed DFTB-QM/MM metadynamics: Application to proton-coupled electron transfer.

Natacha Gillet, Marcus Elstner, Tomáš Kubař

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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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