Federico Zahariev
6PUBLICATIONS
7CO-AUTHORS
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Publications (6)
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|Jan 12, 2026
Solvent Effects on Nonadiabatic Coupling: Interfacing Time-Dependent Density Functional Theory with the Effective Fragment Potential Method.F Zahariev, M S Gordon
|Oct 31, 2025
A Comprehensive Machine Learning Model for Metal-Ligand Binding Prediction: Applications in Chemistry and Biology.Erandika Karunaratne, Federico Zahariev, Marilú Pérez García
|Jan 29, 2024
Prediction of stability constants of metal-ligand complexes by machine learning for the design of ligands with optimal metal ion selectivity.Federico Zahariev, Tamalika Ash, Erandika Karunaratne
|Jun 24, 2021
Combined quantum Monte Carlo - effective fragment molecular orbital method: fragmentation across covalent bonds.F Zahariev, M S Gordon
|Feb 08, 2017
ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data.Federico Zahariev, Nuwan De Silva, Mark S Gordon
|Dec 23, 2016
Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies.Federico Zahariev, Mel Levy
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