Search Results - "Kandy, Akshay Krishna Ammothum"

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

“…The Curvature Constrained Splines (CCS) methodology has been used for fitting repulsive potentials to be used in SCC-DFTB calculations. The benefit of using…”
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Competing nucleation pathways in nanocrystal formation by Salazar, Carlos R., Ammothum Kandy, Akshay Krishna, Furstoss, Jean, Gromoff, Quentin, Goniakowski, Jacek, Lam, Julien

“…Despite numerous efforts from numerical approaches to complement experimental measurements, several fundamental challenges have still hindered one’s ability to…”
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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

“…Because of its importance in various aspects of everyday life, silica is a material that has been the subject of extensive research. Studies on its amorphous…”
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Competing nucleation pathways in nanocrystal formation by Salazar, Carlos R, Kandy, Akshay Krishna Ammothum, Furstoss, Jean, Gromoff, Quentin, Goniakowski, Jacek, Lam, Julien

“…Despite numerous efforts from numerical approaches to complement experimental measurements, several fundamental challenges have still hindered one's ability to…”
Get full text