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B Aradi

Showing results (1-10 of 10) with videos related to

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The Journal of Physical Chemistry. A|June 15, 2007
DFTB+, a sparse matrix-based implementation of the DFTB methodB Aradi, B Hourahine, Th Frauenheim
The Journal of Chemical Physics|November 17, 2015
Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding methodV Lutsker, B Aradi, T A Niehaus
The Journal of Chemical Physics|September 14, 2013
Ewald summation on a helix: A route to self-consistent charge density-functional based tight-binding objective molecular dynamicsI Nikiforov, B Hourahine, B Aradi, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Extensions of the Time-Dependent Density Functional Based Tight-Binding ApproachA Domínguez, B Aradi, T Frauenheim, et al.
The Journal of Physical Chemistry. A|June 8, 2007
Self-interaction and strong correlation in DFTBB Hourahine, S Sanna, B Aradi, et al.
The Journal of Chemical Physics|January 21, 2023
TBMaLT, a flexible toolkit for combining tight-binding and machine learningA McSloy, G Fan, W Sun, et al.
European Journal of Microbiology & Immunology|February 12, 2014
Infection and autoimmunity: Lessons of animal modelsM Pásztói, P Misják, B György, et al.
The Journal of Physical Chemistry. A|June 6, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical SimulationsB Hourahine, M Berdakin, J A Bich, et al.
The Journal of Chemical Physics|April 4, 2020
DFTB+, a software package for efficient approximate density functional theory based atomistic simulationsB Hourahine, B Aradi, V Blum, et al.
The Journal of Chemical Physics|July 22, 2022
Erratum: "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations" [J. Chem. Phys. 152, 124101 (2020)]B Hourahine, B Aradi, V Blum, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. A|June 15, 2007
DFTB+, a sparse matrix-based implementation of the DFTB methodB Aradi, B Hourahine, Th Frauenheim
The Journal of Chemical Physics|November 17, 2015
Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding methodV Lutsker, B Aradi, T A Niehaus
The Journal of Chemical Physics|September 14, 2013
Ewald summation on a helix: A route to self-consistent charge density-functional based tight-binding objective molecular dynamicsI Nikiforov, B Hourahine, B Aradi, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Extensions of the Time-Dependent Density Functional Based Tight-Binding ApproachA Domínguez, B Aradi, T Frauenheim, et al.
The Journal of Physical Chemistry. A|June 8, 2007
Self-interaction and strong correlation in DFTBB Hourahine, S Sanna, B Aradi, et al.
The Journal of Chemical Physics|January 21, 2023
TBMaLT, a flexible toolkit for combining tight-binding and machine learningA McSloy, G Fan, W Sun, et al.
European Journal of Microbiology & Immunology|February 12, 2014
Infection and autoimmunity: Lessons of animal modelsM Pásztói, P Misják, B György, et al.
The Journal of Physical Chemistry. A|June 6, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical SimulationsB Hourahine, M Berdakin, J A Bich, et al.
The Journal of Chemical Physics|April 4, 2020
DFTB+, a software package for efficient approximate density functional theory based atomistic simulationsB Hourahine, B Aradi, V Blum, et al.
The Journal of Chemical Physics|July 22, 2022
Erratum: "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations" [J. Chem. Phys. 152, 124101 (2020)]B Hourahine, B Aradi, V Blum, et al.
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