Prof. Fernando Ruipérez
Dr. Fernando Ruipérez obtained his PhD in Computational Chemistry from the Universidad Autonoma de Madrid, where he focused on the theoretical and computational study of molecular and solid-state systems using advanced quantum-chemical methods. He subsequently carried out postdoctoral research at the Technical University of Berlin and Stockholm University, working on computational studies of molecular systems relevant to nuclear technology. He then joined the Theoretical Chemistry Group at the University of the Basque Country (EHU), where he worked for three years.
In 2013, he moved to POLYMAT (Donostia-San Sebastian), leading the Quantum Chemistry section of the Simulations group, a position he continues to hold as Associate Researcher. In 2026, he was appointed Associate Professor (Profesor Titular de Universidad) in the Department of Physical Chemistry at EHU (Vitoria-Gasteiz).
His current research focuses on computational chemistry applied to materials design. His main research lines include the development of responsive materials based on novel dynamic covalent and non-covalent bonding strategies, with an emphasis on reaction mechanisms and the discovery of new dynamic chemistries, as well as the rational design of catalysts for polymerization processes and small-molecule activation.
He has been principal investigator of several competitive projects and has participated in 17 national and international research initiatives, including Horizon 2020 ITN and FP7 programmes. He is currently involved in the IKUR HPC & AI strategy through a co-supervised doctoral project with the Donostia International Physics Center.
Publicaciones
An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps
X. Gastearena, F. Ruipérez, F. Barroso-Bujans, A. Lam and J. Matxain
Polymer-metal oxide interfaces in XHNBR/PA6 blends: computational insights toward sustainable crosslinking
U. Calvo, J. Matxain, J. Egurrola, A. Burgoa and F. Ruipérez
Dynamic exchange in vinylogous urethane vitrimers: computational and experimental approaches to screen structure–property relationships of dynamic bonds
Teotonico J., Ruipérez F. and Ballard N.
Exploring N2 activation using novel Lewis acid/base pairs: computational insight into frustrated Lewis pair reactivity
X. Gastearena, J. Matxain and F. Ruipérez
Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide
X. Gastearena, F. Barroso-Bujans, F. Ruipérez and J. Matxain
Introduction of 9-Bromo-9-Borafluorene Scaffold Into Deep Blue Emitting p-Conjugated Polymers
J. Teotonico, D. Mantione, K. Hollister, H. Sardon, N. Ballard, F. Ruipérez, R. Gilliard and F. Vidal
Dual Lewis Acid–Base Molecular Cages Facilitate Cooperative N2 Activation: Insights from Theory
H. Nose and F. Ruipérez
An integrated experimental and theoretical approach to probe Cr(vi) uptake using decorated halloysite nanotubes for efficient water treatment
S. Ahmad Shah, S. Zulfiqar, F. Ruipérez, M. Rafique, M. Iqbal, M. Forrester, M. Sarwar (Late) and E. Cochran
Tuning Reprocessing Temperature of Aliphatic Polyurethane Networks by Alkoxyamine Selection
F. Elizalde, V. Pertici, R. Aguirresarobe, M. Ximenis, G. Vozzolo, L. Lezama, F. Ruipérez, D. Gigmes and H. Sardon
Bio-Based Polyhydroxyanthraquinones as High-Voltage Organic Electrode Materials for Batteries
T. Lap, N. Goujon, D. Mantione, F. Ruiperez and D. Mecerreyes
