Search Results - Ammothum Kandy, Akshay Krishna

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  1. 1
    Curvature Constrained Splines for DFTB Repulsive Potential Parametrization

    Curvature Constrained Splines for DFTB Repulsive Potential Parametrization by Ammothum Kandy, Akshay Krishna, Wadbro, Eddie, Aradi, Bálint, Broqvist, Peter, Kullgren, Jolla

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  2. 2
    Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria

    Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria by Kocmaruk, Bojana, Ammothum Kandy, Akshay Krishna, Hermansson, Kersti, Kullgren, Jolla, Broqvist, Peter

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  3. 3
    Competing nucleation pathways in nanocrystal formation

    Competing nucleation pathways in nanocrystal formation by Salazar, Carlos R., Ammothum Kandy, Akshay Krishna, Furstoss, Jean, Gromoff, Quentin, Goniakowski, Jacek, Lam, Julien

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  4. 4
    Elaboration of a neural-network interatomic potential for silica glass and melt

    Elaboration of a neural-network interatomic potential for silica glass and melt by Trillot, Salomé, Lam, Julien, Ispas, Simona, Kandy, Akshay Krishna Ammothum, Tuckerman, Mark E., Tarrat, Nathalie, Benoit, Magali

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  5. 5
    Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

    Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials by Kandy, Akshay Krishna Ammothum, Rossi, Kevin, Raulin-Foissac, Alexis, Laurens, Gaétan, Lam, Julien

    Published in Physical review. B
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  6. 6
    Competing nucleation pathways in nanocrystal formation

    Competing nucleation pathways in nanocrystal formation by Salazar, Carlos R, Akshay Krishna Ammothum Kandy, Furstoss, Jean, Gromoff, Quentin, Goniakowski, Jacek, Lam, Julien

    Published in arXiv.org
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