David Balcells

22PUBLICATIONS
39CO-AUTHORS
Computational chemistryTheory and design of materialsArtificial life and complex adaptive systemsTransition metal chemistryMain group metal chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (22)

|Aug 13, 2026
Δ -Machine Learning for the Prediction of Metal Complex Properties.

|Oct 24, 2025
tmQMg* Data Set: Excited State Properties of 74k Transition Metal Complexes.

Hannes Kneiding, David Balcells

|Jun 12, 2025
AI Approaches to Homogeneous Catalysis with Transition Metal Complexes.

Lucía Morán-González, Arron L Burnage, Ainara Nova

|May 30, 2025
A Deep Generative Model for the Inverse Design of Transition Metal Ligands and Complexes.

|Feb 10, 2025
Metal-Dependent Mechanism of the Electrocatalytic Reduction of CO2 by Bipyridine Complexes Bearing Pendant Amines: A DFT Study.

Mahika Luthra, Abril C Castro, David Balcells

|Nov 25, 2024
Copper(II)-Oxyl Formation in a Biomimetic Complex Activated by Hydrogen Peroxide: The Key Role of Trans-Bis(Hydroxo) Species.

Ning Cao, Abril C Castro, David Balcells

Pageof 4

Frequent Collaborators

5 joint publications

Ainara Nova

4 joint publications

T Don Tilley

3 joint publications

Hannes Kneiding

3 joint publications

Jaruwan Amtawong