Angel Albavera-Mata

6PUBLICATIONS
7CO-AUTHORS
Theory and design of materialsTheoretical quantum chemistryElemental semiconductorsSupramolecular chemistryCondensed matter modelling and density functional theory
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Publications (6)

|Nov 14, 2025
Thermodynamic Analysis of Spin Crossover in Molecules and Solid State Materials with pySCO.

Angel Albavera-Mata

|May 19, 2025
Generalized quadratic model for charge transfer.

Angel Albavera-Mata, José Luis Gázquez, Alberto Vela

|Apr 01, 2025
Discovery of Spin-Crossover Materials with Equivariant Graph Neural Networks and Relevance-Based Classification.

Angel Albavera-Mata, Pawan Prakash, Jason B Gibson

|Dec 06, 2024
Magnetic and Thermodynamic Computations for Supramolecular Assemblies between a Cr(III) and Fe(III) Single-Ion Magnet and an Fe(II) Spin-Crossover Complex.

Angel Albavera-Mata, Shuanglong Liu, Hai-Ping Cheng

|Sep 05, 2023
Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard-U Correction.

Angel Albavera-Mata, Richard G Hennig, S B Trickey

|Dec 21, 2022
Mean Value Ensemble Hubbard-U Correction for Spin-Crossover Molecules.

Angel Albavera-Mata, S B Trickey, Richard G Hennig

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Frequent Collaborators

4 joint publications

S B Trickey

4 joint publications

Richard G Hennig

2 joint publications

Hai-Ping Cheng

1 joint publications

Shuanglong Liu