Head of Group
Unit: Smart Materials
Group: Modelling of functional materials
Social links: Google Scholar / ORCID
I studied Physics at the University of the Basque Country, where I obtained my Ph.D. in 2001. After two postdoctoral appointments in the USA, at Rutgers University and the NIST Center for Neutron Research, in 2005 I joined the Institute of Materials Science of Barcelona (ICMAB-CSIC) as a permanent researcher. Then, in 2015 I moved to the newly created Luxembourg Institute of Science and Technology (LIST), where I lead a research group focused on modeling of functional materials (MFM). Since 2018 I also hold an invited position as Affiliate Full Professor of Physics at the University of Luxembourg. My research specializes in applying theoretical and computational methods to address problems in condensed matter physics and materials science. I am better known for my works on ferroelectric and multiferroic phenomena as well as my original methodological contributions, e.g., for predictive dynamical simulations of nanostructured ferroelectrics. Recent highlights include the discovery of unprecedented electromechanical properties in novel fluorite ferroelectrics, the explanation of anomalous dielectric effects (negative capacitance and voltage amplification) in ferroelectric heterostructures, and the discovery of electric skyrmion bubbles. Since 2022 I am a Fellow of the American Physical Society “For ground-breaking contributions to the computational theory of ferroelectric and multiferroic materials.”
Group leader for "Modeling of Functional Materials" (MFM)
Tunable and Persistent Macroscopic Polarization in Nominally Centrosymmetric Defective Oxides
Park D.S., Pryds N., Gauquelin N., Hadad M., Chezganov D., Palliotto A., Jannis D., Íñiguez-González J., Verbeeck J., Muralt P., Damjanovic D.
Advanced Materials, vol. 38, n° 3, art. no. e03685, 2026
Machine learning Landau free-energy potentials for third-principles simulations
Pulzone M., Fedorova N.S., Aramberri H., Íñiguez-González J.
Physical Review B, vol. 112, n° 22, pp. 1-18, art. no. 224113, 2025
Active learning of effective Hamiltonian for super-large-scale atomic structures
Ma X., Chen H., He R., Yu Z., Prokhorenko S., Wen Z., Zhong Z., Íñiguez-González J., Bellaiche L., Wu D., Yang Y.
Npj Computational Materials, vol. 11, n° 1, art. no. 70, 2025
Giant energy density nitride dielectrics enabled by a paraelectric-metaparaelectric phase transition
Liu Z., Ma X., Chen L., Yan X., Liu J.M., Duan C.G., Íñiguez-González J., Wu D., Yang Y.
Nature Communications, vol. 16, n° 1, art. no. 3191, 2025
Establishing a pure antiferroelectric PbZrO3 phase through tensile epitaxial strain
Parmar K., Dufour P., Texier E., Carrétéro C., Li X., Godel F., Hlinka J., Dkhil B., Sando D., Aramberri H., Íñiguez-González J., Fusil S., Gloter A., Maroutian T., Garcia V.
Nature Communications, vol. 16, n° 1, art. no. 6536, 2025