Marilú Pérez García

5PUBLICATIONS
8CO-AUTHORS
Computational chemistryMain group metal chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterFormal methods for software
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Publications (5)

|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

|Jul 20, 2023
Structure and Magnetic Properties of Homoleptic Trivalent Tris(alkyl)lanthanides.

Yang-Yun Chu, Andrés García Alejo, Sergey L Bud'ko

|Mar 02, 2017
Computational Study of the Malonic Acid Tautomerization Products in Highly Concentrated Particles.

Marilú Pérez García, Theresa L Windus

|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

Federico Zahariev

3 joint publications

Theresa L Windus

1 joint publications

Mark S Gordon

1 joint publications

Aaron D Sadow