Kseniia Korchagina

Contribution of the density-functional-based tight-binding scheme to the description of water clusters: methods, applications and extension to bulk systems

Aude Simon, Mathias Rapacioli, Eric Michoulier et al. · Molecular Simulation · 2018 · 23 citations

Natural Sciences, Chemistry, Physics +17

Metadynamics combined with auxiliary density functional and density functional tight-binding methods: alanine dipeptide as a case study

Jérôme Cuny, Kseniia Korchagina, Chemseddine Menakbi et al. · Journal of Molecular Modeling · 2017 · 21 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Automated neuron tracking inside moving and deforming C. elegans using deep learning and targeted augmentation

Core Francisco Park, Mahsa Barzegar-Keshteli, Kseniia Korchagina et al. · Nature Methods · 2023 · 20 citations · Full text

Computing, Computer Science, Artificial Intelligence +15

A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: Application to (C6H6)+/0Ar<i>n</i> clusters

Christophe Iftner, Aude Simon, Kseniia Korchagina et al. · The Journal of Chemical Physics · 2014 · 16 citations

Natural Sciences, Chemistry, Physics +17

Theoretical investigation of the solid–liquid phase transition in protonated water clusters

Kseniia Korchagina, Aude Simon, Mathias Rapacioli et al. · Physical Chemistry Chemical Physics · 2017 · 13 citations

Natural Sciences, Chemistry, Physics +17