Sergi Vela

21PUBLICATIONS
35CO-AUTHORS
Theory and design of materialsOptical properties of materialsFunctional materialsTheoretical quantum chemistryBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (21)

|Aug 25, 2026
Disclosing Trends on C(1s) Core-Level Binding Energies of MXene Flakes: Metal, Size and Edge Effects.

|Mar 10, 2026
Structural and electronic properties of MXene flakes: from edge effects to bandgap evolution.

Miquel Allés, Sergi Vela, Ángel Morales-García

|Aug 21, 2025
MXgap: A MXene Learning Tool for Bandgap Prediction.

Diego Ontiveros, Sergi Vela, Francesc Viñes

|Aug 09, 2024
Automated prediction of ground state spin for transition metal complexes.

Yuri Cho, Ruben Laplaza, Sergi Vela

|Feb 06, 2024
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials.

Frédéric Célerse, Matthew D Wodrich, Sergi Vela

|Oct 10, 2023
Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design.

J Terence Blaskovits, Ruben Laplaza, Sergi Vela

Pageof 4

Frequent Collaborators

9 joint publications

Clémence Corminboeuf

3 joint publications

Carmen Sousa

3 joint publications

Ruben Laplaza

3 joint publications

Maria Fumanal