Rubén Laplaza

31PUBLICATIONS
99CO-AUTHORS
Water treatment processesMathematical aspects of classical mechanics, quantum mechanics and quantum information theoryComputational chemistryBiomolecular modelling and designGeomorphology and earth surface processes
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Publications (31)

|May 12, 2026
Enhancing Catalyst Stability for Magnetically Induced Aqueous Catalysis: Functionalization with a Hydrosoluble Zwitterionic Amidinate Ligand.

|May 11, 2026
Benchmarking physics-inspired machine learning models for transition metal complexes with diverse charge and spin states.

|Apr 18, 2026
The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

|Sep 11, 2025
Generative design of singlet fission materials leveraging a fragment-oriented database.

Thanapat Worakul, Rubén Laplaza, J Terence Blaskovits

|May 08, 2025
SPOCK Tool for Constructing Empirical Volcano Diagrams from Catalytic Data.

Manu Suvarna, Rubén Laplaza, Romain Graux

|Dec 12, 2024
Assessment of fine-tuned large language models for real-world chemistry and material science applications.

Joren Van Herck, María Victoria Gil, Kevin Maik Jablonka

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Frequent Collaborators

21 joint publications

Clemence Corminboeuf

6 joint publications

Julia Contreras-Garcı A

6 joint publications

Matthew D Wodrich

5 joint publications

J Terence Blaskovits