Federico Zahariev

7PUBLICATIONS
8CO-AUTHORS
Chemical thermodynamics and energeticsTheoretical quantum chemistryComputational chemistryRadiation and matterFormal methods for software
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Publications (7)

|Oct 19, 2026
RANGE-X: a gradient-free framework for the discovery of conical intersections and photochemical reaction pathways.

|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

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Frequent Collaborators

3 joint publications

Marilú Pérez García

2 joint publications

Mark S Gordon

2 joint publications

Mark S Gordon

2 joint publications

Theresa L Windus