Ekaterina Izgorodina
Affiliations: | Monash Univerisity |
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Parents
Sign in to add mentor| Stefan Grimme | grad student | University of Muenster, Germany | |
| Michelle Louise Coote | post-doc | 2004-2006 | ANU |
| Douglas Robert MacFarlane | post-doc | 2006-2007 | Monash University (Australia) (Neurotree) |
Children
Sign in to add trainee| Jason Rigby | grad student | Monash Univerisity | |
| Abhishek Singh | grad student | 2015-2020 | Monash Univerisity |
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Publications
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| Singh A, Mason TG, Lu Z, et al. (2023) Structural elucidation of polydopamine facilitated by ionic liquid solvation. Physical Chemistry Chemical Physics : Pccp |
| Low K, Coote ML, Izgorodina EI. (2023) Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning. Journal of Chemical Theory and Computation. 19: 1466-1475 |
| Low K, Coote ML, Izgorodina EI. (2022) Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition. Journal of Chemical Information and Modeling |
| Low K, Coote ML, Izgorodina EI. (2022) Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data. Journal of Chemical Theory and Computation. 18: 1607-1618 |
| Seeger ZL, Izgorodina EI. (2021) A DLPNO-CCSD(T) benchmarking study of intermolecular interactions of ionic liquids. Journal of Computational Chemistry |
| Belotti M, Lyu X, Xu L, et al. (2021) Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers. Journal of the American Chemical Society |
| Low K, Kobayashi R, Izgorodina EI. (2020) The effect of descriptor choice in machine learning models for ionic liquid melting point prediction. The Journal of Chemical Physics. 153: 104101 |
| Xu L, Izgorodina EI, Coote ML. (2020) Ordered Solvents and Ionic Liquids Can be Harnessed for Electrostatic Catalysis. Journal of the American Chemical Society |
| Wylie L, Seeger ZL, Hancock AN, et al. (2018) Increased stability of nitroxide radicals in ionic liquids: more than a viscosity effect. Physical Chemistry Chemical Physics : Pccp |
| Seeger ZL, Kobayashi R, Izgorodina EI. (2018) Cluster approach to the prediction of thermodynamic and transport properties of ionic liquids. The Journal of Chemical Physics. 148: 193832 |