12 results on '"Heidar-Zadeh, Farnaz"'
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2. Learning to Make Chemical Predictions: The Interplay of Feature Representation, Data, and Machine Learning Methods
3. Chemical transferability of functional groups follows from the nearsightedness of electronic matter
4. Learning to Make Chemical Predictions: the Interplay of Feature Representation, Data, and Machine Learning Algorithms
5. Quantitative electrophilicity measures
6. Non-covalent force field expressed in terms of spherical density functions
7. Variational information-theoretic atoms-in-molecules
8. Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes.
9. Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods.
10. Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles.
11. Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents.
12. NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces.
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